Molecule Details

Molecular Properties
SMILES:
O=C(c1ccc2c(c1)OCO2)N1CCCCCC1
MW: 247.294
Fraction sp3: 0.5
HBA: 3
HBD: 0
Rotatable Bonds: 1
TPSA: 38.77
cLogP: 2.4315
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z31432226
Enamine REAL: Z31432226
Enamine Extended REAL: s_22____57673____58981
Mcule: MCULE-7851867329
Mcule Ultimate: ABPXISKFLMGPJG-UHFFFAOYSA-N
MolPort: MolPort-001-030-199
O=C1C=C2CCN(C(=O)c3ccc4c(c3)OCO4)C2CC1

JOH-UNI-e19b918c-6
0.458

View
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1

LON-WEI-8f408cad-11
0.397

View
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1

LON-WEI-b8d98729-3
0.397

View
O=C(c1ccc2c(c1)OCO2)c1nc(O)oc1CCl

MAR-TRE-8a25d817-17
0.356

View
CN1C(=O)/C(=N\NC(=O)c2ccc3c(c2)OCO3)c2ccccc21

ROD-LAS-d5538ff9-6
0.354

View
O=C(c1ccc2c(c1)OCO2)c1nc(O)sc1CCl

MAR-TRE-aca67d11-9
0.351

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.338

View
C=CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

SAD-SAT-2ceae68f-8
0.338

View
CSc1nc(N)nc(SCC(=O)c2ccc3c(c2)OCO3)c1C#N

MAR-TRE-a3327163-38
0.337

View
O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2)c1ccc2c(c1)OCO2

BRU-UNI-248b30bc-1
0.330

View
O=C(CCl)NCc1ccc2c(c1)OCO2

AAR-POS-d2a4d1df-31
0.324

View
C=CC(=O)NCc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-4
0.319

View
CC(=O)N[C@H](Cc1ccc2c(c1)OCO2)C(=O)O

MAR-TRE-e86a56b5-54
0.310

View
O=C1C=CCN1Cc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-8
0.304

View
CC(NC(=O)c1cncnc1)C(O)c1ccc2c(c1)OCO2

MAR-TRE-a9136c7b-62
0.304

View
O=C1C=CC(=O)N1Cc1ccc2c(c1)OCO2

JOH-UNI-e19b918c-9
0.299

View
O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cncnc1

MAR-TRE-9d18ae8c-66
0.298

View
Cc1[nH]c2ccccc2c1/C=N/N(C)C(=O)c1ccc2c(c1)OCO2

ROD-LAS-d5538ff9-5
0.295

View
O=C(c1ccccc1O)N1CCCCC1

CLI-UNI-032f7715-1
0.290

View
C=CC(=O)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-5
0.286

View
O=C(c1ccccn1)N1CC(c2ccc3c(c2)OCO3)C=N1

JON-UNI-93996c9d-3
0.286

View
O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.281

View
CN(C(=O)c1ccccn1)c1ccc2c(c1)OCO2

JON-UNI-93996c9d-5
0.276

View
COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccc5c(c4)OCO5)sc3C2)cc1

MAT-POS-b5746674-30
0.275

View
CC(C)(C)OC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O

MAR-TRE-e86a56b5-44
0.273

View
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O

MAR-TRE-e86a56b5-72
0.272

View
O=C1C=C2CCN(Cc3ccc4c(c3)OCO4)C2C1

JOH-UNI-e19b918c-11
0.272

View
C=CC(=O)N1CCc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-13
0.268

View
Cl[Au+]=c1n(Cc2ccc3c(c2)OCO3)ccn1Cc1ccc2c(c1)OCO2

MAR-TRE-d3c2bf0e-27
0.268

View
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Br)cc2)C1=O

MAR-TRE-e86a56b5-78
0.267

View
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(F)cc2)C1=O

MAR-TRE-e86a56b5-95
0.267

View
O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cncnc1

MAR-TRE-4f781e27-53
0.267

View
C=CC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1

SAD-SAT-1f400d17-10
0.267

View
O=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1

MAR-TRE-2fd8122f-71
0.266

View
O=C1C=C2CCN(Cc3ccc4c(c3)OCO4)C2CC1

JOH-UNI-e19b918c-3
0.265

View
O=C(O)CC(NC(=O)c1cncnc1)c1ccc2c(c1)OCO2

MAR-TRE-a9136c7b-71
0.265

View
O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)O)c1cncnc1

MAR-TRE-8190bb11-17
0.265

View
O=C(Cc1ccc2c(c1)OCO2)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-42
0.265

View
N#CCC(=O)c1ccc2c(c1)OCCO2

MAR-TRE-a3327163-77
0.265

View
O=C(CSc1nccc(O)n1)NCc1ccc2c(c1)OCO2

MAR-TRE-f5c2d31c-59
0.264

View
O=C(CCl)N1CCc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-12
0.264

View
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2

NJA-MAN-b9fb953f-2
0.259

View
O=C1Nc2ccccc2OC1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAT-POS-b5746674-52
0.258

View
C=CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1

MED-COV-4280ac29-14
0.257

View
O=C(CCl)N1CCN(C(=O)c2cccc(Cl)c2)CC1

MAK-UNK-6ca90168-15
0.257

View
Cn1c(=O)c2c(nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O

BRU-UNI-248b30bc-44
0.257

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1C

ASH-SAT-43770c7d-10
0.257

View
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O

MAR-TRE-e86a56b5-80
0.256

View
O=C1NC(=S)N[C@H]1Cc1ccc2c(c1)OCO2

MAR-TRE-e86a56b5-96
0.253

View
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O

MAR-TRE-e86a56b5-4
0.253

View
N#CCCCOc1ccc2c(c1)OCO2

MAR-TRE-6c5ef77a-13
0.250

View
O=C(COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1)NCc1ccc2c(c1)OCO2

DAV-UNK-07f953a2-3
0.250

View
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cncnc1

MAR-TRE-92684b97-22
0.247

View
NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21

MAR-TRE-d0525fbf-19
0.247

View
CC(C)(C)C1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1

BRU-UNI-418e22dc-10
0.247

View
O=C(SCF)C1CCN(C(=O)c2cccc(F)c2)CC1

GIA-UNK-995df016-15
0.247

View
O=C1Nc2ccc(-c3ccc4c(c3)OCO4)cc2C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]12

BRU-UNI-248b30bc-7
0.245

View
N#Cc1cccnc1NCc1ccc2c(c1)OCO2

MAR-TRE-0fda4e82-9
0.244

View
CC(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21

MAR-TRE-d0525fbf-40
0.242

View
O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1cccnc1

MAR-TRE-7f7bb9f0-28
0.242

View
O=C(CN1C(=O)CSc2ncccc21)NCc1ccc2c(c1)OCO2

MAR-TRE-d0525fbf-52
0.240

View
Cn1c(=O)c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c2cccnc21

MAR-TRE-d0525fbf-39
0.237

View
O=C(CCc1ccc2c(c1)OCO2)N1CCOC2(CCN(c3ncccn3)C2)C1

MAR-TRE-dab8f6ea-22
0.235

View
CCCCn1c(=O)[nH]c(O)c(C2=NNC(c3ccc4c(c3)OCO4)C2)c1=O

MAT-POS-b5746674-90
0.235

View
CN1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)CCl)C3)CC1

ALE-SYG-bac15da4-2
0.235

View
NC(=O)CCC1NC2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12

AAR-POS-fca48359-13
0.234

View
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12

FAR-UNI-9a76d7b5-3
0.234

View
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1

MAR-LAB-ff9967db-23
0.233

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.232

View
C=CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1

JOO-IND-6372a4f3-1
0.231

View
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)c1ccccc1

MAR-TRE-b77b7921-56
0.230

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.228

View
O=C(CCl)Nc1cccc(C(=O)N2CCSCC2)c1

AAR-POS-d2a4d1df-38
0.228

View
O=C(CCCN1C(=O)CSc2ncccc21)NCc1ccc2c(c1)OCO2

MAR-TRE-d0525fbf-80
0.228

View
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)N1CCN(c2ccccc2)CC1

MAR-TRE-3e4e6814-38
0.227

View
CN1CCc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2C1

MAT-POS-b5746674-24
0.226

View
CN(C)C(=O)C1CCN(C(=O)c2cccc(Cc3ccc4c(n3)COC[C@@H]4N)c2)CC1

LUI-IND-a1be81af-3
0.225

View
NS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)CCl)CC2)c1

SAD-SAT-89668ff1-2
0.224

View
CC(=O)c1cc2c(cc1NC(=O)CCl)OCO2

MAR-TRE-6a44bbf2-60
0.222

View
O=C(Nc1cccc(C(=O)N2CCSCC2)c1)C(F)Cl

JOO-IND-6372a4f3-2
0.222

View
O=C1/C(=C/c2ccc(O)cc2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2

LON-WEI-ff7b210a-1
0.221

View
O=C(S)C1CCN(C(=O)c2ccccc2)CC1

GIA-UNK-5ec6c2b8-1
0.221

View
CC#CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1

JOO-IND-6372a4f3-3
0.220

View
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)N1CCCc2ccccc21

MAR-TRE-04c86cea-28
0.219

View
CC(=O)N1N=C(c2c(O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)CC1c1ccc2c(c1)OCO2

MAT-POS-b5746674-88
0.219

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-54
0.218

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-16
0.218

View
CC1=C(C(=O)Nc2cccnc2)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1

KEI-TRE-d5e2018a-5
0.217

View
Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)OCO3)n1

MAR-TRE-14ce9fd6-23
0.217

View
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)N1CCc2ccccc21

MAR-TRE-b77b7921-38
0.216

View
CC(C)(C)NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21

MAR-TRE-d0525fbf-13
0.216

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

MAR-TRE-6a44bbf2-36
0.214

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-25
0.214

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

MAK-UNK-7c9d1431-2
0.214

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AHN-SAT-de2502ba-8
0.214

View
O=C(CCl)N1CCN(C(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-5
0.214

View
CCCNC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21

MAR-TRE-d0525fbf-57
0.214

View
Cc1cccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1

MAR-LAB-ff9967db-28
0.212

View
O=C(Nc1ccc(Cl)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1

BRU-UNI-248b30bc-2
0.212

View
CC(=O)N1CCN(C(=O)c2ccsc2)CC1

MAK-UNK-6ca90168-19
0.212

View
O=C(C1=CC=C2OCOC2=C1)N1CCCCCC1

1.000

View
O=C(C1=CC=C2OCOC2=C1)N1CCCCCCC1

0.978

View
O=C(C1=CC=C2OCOC2=C1)N1CCCCCCCC1

0.978

View
O=C(C1=CC=C2OCOC2=C1)N1CCCC1

0.913

View
O=C(C1=CC=C2OCOC2=C1)N1CCC1

0.870

View
O=C(C(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCCC1

0.782

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.771

View
O=C(C1=CC=C2OCOC2=C1)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.765

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(C(=O)N2CCCCC2)CC1

0.737

View
NC(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.717

View
O=C(C(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCC1

0.714

View
O=C(C(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCC1

0.709

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(C(=O)N2CCCC2)CC1

0.702

View
O=C(C1=CC=C2OCCOC2=C1)N1CCCCCC1

0.698

View
O=C(C1=CC=C2OCOC2=C1)N1CCOCC1

0.698

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(C(=O)N2CCC2)CC1

0.696

View
NC(=O)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.690

View
O=C(C1=CC=C2OCCOC2=C1)N1CCCCCCC1

0.685

View
O=C(C1=CC=C2OCCOC2=C1)N1CCCCCCCC1

0.685

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCCCCC1

0.685

View
O=C(C1=CC=C2OCOC2=C1)N1CCSSCC1

0.685

View
CC(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.685

View
O=C1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.685

View
CN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.685

View
O=C(C1=CC=C2OCOC2=C1)N1CCCOCC1

0.684

View
O=C(CN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCCC1

0.683

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCCCCCC1

0.673

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCCCCCCC1

0.673

View
O=C(C1=CC=C2OCOC2=C1)N1CCNCC1

0.673

View
O=C(C1=CC=C2OCOC2=C1)N1CCSCC1

0.673

View
CC(=O)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.672

View
O=C(C1=CC=C2OCOC2=C1)N1CCCNCC1

0.672

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1

0.672

View
CC(C(=O)N1CCCCCC1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.672

View
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.672

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.667

View
O=C(C1=CC=C2OCOC2=C1)N1CCC2(CCC2)CC1

0.667

View
NC(=O)C1=CC=C(C(=O)N2CCN(C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1

0.667

View
O=C(CCN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCCC1

0.662

View
CN1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.661

View
O=C1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.661

View
O=C(C1=CC=C2OCOC2=C1)N1CCCSCC1

0.661

View
O=C(C1=CC=C2OCCOC2=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.661

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(F)CC1

0.661

View
O=C(O)C1=CC=C(C(=O)N2CCN(C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1

0.661

View
O=C(C1=CC=C2OCOC2=C1)N1CCS(=O)(=O)CC1

0.661

View
O=C(CN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCC1

0.656

View
O=C(CSCC(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCC1

0.656

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(CCN2CCCC2)CC1

0.650

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(C2CCCCC2)CC1

0.650

View
O=C(C1=CC=C2OCOC2=C1)N1CCC2(CCCCC2)CC1

0.650

View
O=C(C1=CC=C2OCOC2=C1)N1CCCOC1

0.649

View
CC(C(=O)N1CCCCC1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.646

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(N2CCCCC2)CC1

0.645

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(CCN2CCCCC2)CC1

0.645

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(S(=O)(=O)N2CCCCC2)CC1

0.645

View
O=C(C1=CC=C2OCOC2=C1)N1CCC2(CCCC2)CC1

0.644

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(C2CCCC2)CC1

0.644

View
O=C(NNC(=O)C1=CC=C2OCOC2=C1)C1=CC=CC(C(=O)N2CCCCC2)=C1

0.641

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(C(=O)C2=CC=CC(C(=O)N3CCCC3)=N2)CC1

0.641

View
O=C(C1=CC=CC=C1)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.639

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(N2CCCC2)CC1

0.639

View
O=C(C1=CC=C2OCOC2=C1)N1CCCC2(CC1)CC2

0.639

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(S(=O)(=O)N2CCCC2)CC1

0.639

View
O=C(C1=CC=C2OCOC2=C1)N1CCCS(=O)(=O)CC1

0.639

View
O=C(C1=CC=CC=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.638

View
CC(=O)C1=CC=C(C(=O)N2CCN(C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1

0.638

View
O=C(CCN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCC1

0.636

View
O=C(C1=CC=C(CN2CCN(C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1)N1CCCC1

0.636

View
CC1(N2CCCCC2)CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.635

View
N[C@H]1CCCN(C(=O)C2=CC=C3OCOC3=C2)C1

0.633

View
NC1CCCN(C(=O)C2=CC=C3OCOC3=C2)C1

0.633

View
N[C@@H]1CCCN(C(=O)C2=CC=C3OCOC3=C2)C1

0.633

View
CC(C(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCCC1

0.631

View
O=C(C1=CC=C2OCOC2=C1)N1CCC(CN2CCCCCC2)CC1

0.631

View
O=C(C1=CC=C2OCCOC2=C1)N1CCCC1

0.630

View
O=C(C1=CC=C(Cl)C=C1)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.629

View
O=C(C1=CC=C(F)C=C1)N1CCCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.629

View
O=C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.627

View
CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC=C4OCOC4=C3)CC2)C=C1

0.627

View
O=C(C1=CC=C(F)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.627

View
O=C(C1=CC=C(Br)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.627

View
O=C(CN1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCC1

0.625

View
O=C(C1=CC=C2OCOC2=C1)N1CCCC2(CCCC2)CC1

0.619

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCCC1

0.618

View
O=C(CNC(=O)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1)N1CCCCC1

0.618

View
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.618

View
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)C1=CC=C2OCOC2=C1

0.615

View
O=C(C1=CC=C2OCOC2=C1)N1CCN(CCCN2CCCCC2)CC1

0.615

View
CC(C(=O)N1CCCC1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.615

View
O=C(C1=C[NH]C(C(=O)N2CCCC2)=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.612

View
O=C(C1=CC=C2OCOC2=C1)N1CCCC(N2CCCC2)CC1

0.606

View
O=C(C1=CC=C(CN2CCCCC2)C=C1)N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1

0.597

View
O=C(C1=CC=C2OCCOC2=C1)N1CCC1

0.593

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCC1

0.593

View
O=C(C1=CC=C2OCCOC2=C1)N1CCCN(C(=O)C2=CC=C3OCCOC3=C2)CC1

0.525

View
O=C(C1=CC=C2OCCOC2=C1)N1CCN(C(=O)N2CCCCC2)CC1

0.523

View
O=C(C1=CC=C2OCCCOC2=C1)N1CCN(C(=O)N2CCCCC2)CC1

0.515

View
O=C(C(=O)N1CCN(C(=O)C2=CC=C3OCCOC3=C2)CC1)N1CCCC1

0.500

View
O=C(C1=CC=C2OCCOC2=C1)N1CCN(C(=O)N2CCCC2)CC1

0.492

View
O=C(N1CCCCCC1)c1ccc2OCOc2c1

1.000

View
O=C(N1CCCCCCC1)c1ccc2OCOc2c1

0.978

View
O=C(N1CCCCC1)c1ccc2OCOc2c1

0.957

View
O=C(N1CCCC1)c1ccc2OCOc2c1

0.913

View
NC(=O)C1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.684

View
OC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.673

View
Cl.NC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.667

View
CC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.661

View
O=C(N1CCC(CC1)N1CCCCC1)c1ccc2OCOc2c1

0.645

View
OCC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.627

View
CC1CCCN(C1)C(=O)c1ccc2OCOc2c1

0.617

View
NC(=O)CC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.613

View
OC1(CC1)C1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.597

View
OCC(O)C1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.597

View
CC1CC(C)CN(C1)C(=O)c1ccc2OCOc2c1

0.593

View
O=C(N1CCCC(C1)C#C)c1ccc2OCOc2c1

0.585

View
CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.576

View
NCC1CCCN1C(=O)c1ccc2OCOc2c1

0.571

View
Cl.CNCC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.569

View
CC1CCCCN1C(=O)c1ccc2OCOc2c1

0.565

View
NCC1CCCCN1C(=O)c1ccc2OCOc2c1

0.554

View
COCCC1CCN(CC1)C(=O)c1ccc2OCOc2c1

0.552

View
O=C(N1CCC(Cc2ccccc2)CC1)c1ccc2OCOc2c1

0.552

View
Cl.NCC1CCCCN1C(=O)c1ccc2OCOc2c1

0.545

View
OCC1CCCCN1C(=O)c1ccc2OCOc2c1

0.538

View
O=C(NCC1CCN(CC1)C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1

0.536

View
CCC1CCCCN1C(=O)c1ccc2OCOc2c1

0.530

View
CC1CCCC(C)N1C(=O)c1ccc2OCOc2c1

0.516

View
CC(C)C1CCCCN1C(=O)c1ccc2OCOc2c1

0.507

View
O=C(N1CCC(CCN2CCOCC2)CC1)c1ccc2OCOc2c1

0.507

View
Cc1ccc(CCC2CCN(CC2)C(=O)c2ccc3OCOc3c2)cc1

0.500

View
O=C(N1CCC2(CC1)CCN(CC1CC1)C(=O)CC2)c1ccc2OCOc2c1

0.468

View
COCCN1CCC2(CCN(CC2)C(=O)c2ccc3OCOc3c2)CCC1=O

0.457

View
O=C(NCC#CCN1CCCCCC1)c1ccc2OCOc2c1

0.452

View
O=C(N1CCC2(CC1)CCN(Cc1ccccc1)C(=O)CC2)c1ccc2OCOc2c1

0.446

View
CCN(CC)C(=O)c1ccc2OCOc2c1

0.441

View
CC(C)CN(CC(C)C)C(=O)c1ccc2OCOc2c1

0.429

View
COc1ccc(cc1OC)C(=O)N1CCCCCC1

0.426

View
O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc2OCOc2c1

0.425

View
CN(C1CCCCC1)C(=O)c1ccc2OCOc2c1

0.424

View
CN(C1CCCCCC1)C(=O)c1ccc2OCOc2c1

0.424

View
O=C(NC1CCCCC1)c1ccc2OCOc2c1

0.424

View
O=C(NC1CCCCCC1)c1ccc2OCOc2c1

0.424

View
CCC(CC)CNC(=O)c1ccc2OCOc2c1

0.424

View
CCC(CC)NC(=O)c1ccc2OCOc2c1

0.422

View
CC(C)CNC(=O)c1ccc2OCOc2c1

0.422

View
CC1(CNC(=O)c2ccc3OCOc3c2)CCCC1

0.420

View
COc1ccc(cc1OC)C(=O)N1CCCCCCC1

0.419

View
O=C(NC1CC1)c1ccc2OCOc2c1

0.419

View
CCCCCNC(=O)c1ccc2OCOc2c1

0.418

View
O=C(NC1CCCCCCC1)c1ccc2OCOc2c1

0.418

View
NC(=O)CCCNC(=O)c1ccc2OCOc2c1

0.418

View
O=C(NCCCCCCCCNC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1

0.415

View
O=C(NC1CCCC1)c1ccc2OCOc2c1

0.415

View
CCC(C)NC(=O)c1ccc2OCOc2c1

0.415

View
CCCN(CCC)C(=O)c1ccc2OCOc2c1

0.413

View
O=C(NC1CCC(CC1)NC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1

0.413

View
CCCCNC(=O)c1ccc2OCOc2c1

0.409

View
COc1ccc(cc1OC)C(=O)N1CCCCC1

0.403

View
CCCCCCN(CCCCCC)C(=O)c1ccc2OCOc2c1

0.403

View
CC(C)CCNC(=O)c1ccc2OCOc2c1

0.403

View
O=C(N(CC1CC1)C1CC1)c1ccc2OCOc2c1

0.403

View
CC(NC(=O)c1ccc2OCOc2c1)C1CC1

0.403

View
O=C(NCCCN1CCCCCC1=O)c1ccc2OCOc2c1

0.400

View
O=C(NC(C1CC1)C1CC1)c1ccc2OCOc2c1

0.400

View
Cc1ccc(cc1)C(=O)N1CCC(CCNC(=O)c2ccc3OCOc3c2)CC1

0.398

View
CN(CC1CCC1)C(=O)c1ccc2OCOc2c1

0.397

View
CCCCCCCCCCCNC(=O)c1ccc2OCOc2c1

0.394

View
O=C(NCCC1CCCC1)c1ccc2OCOc2c1

0.394

View
CCN(C(=O)c1ccc2OCOc2c1)C12CC3CC(CC(C3)C1)C2

0.394

View
O=C(N(CCC#N)CCC#N)c1ccc2OCOc2c1

0.394

View
CCC(C)(CC)NC(=O)c1ccc2OCOc2c1

0.394

View
CCC(C)(C)NC(=O)c1ccc2OCOc2c1

0.394

View
CCCC(C)NC(=O)c1ccc2OCOc2c1

0.388

View
CN(C(C1CC1)C1CC1)C(=O)c1ccc2OCOc2c1

0.388

View
CC1CCCC1NC(=O)c1ccc2OCOc2c1

0.386

View
CC1CCCC(C)C1NC(=O)c1ccc2OCOc2c1

0.386

View
COCCCCNC(=O)c1ccc2OCOc2c1

0.386

View
CCN1CCC(CC1)N(C1CC1)C(=O)c1ccc2OCOc2c1

0.384

View
CCCCN(CC)C(=O)c1ccc2OCOc2c1

0.382

View
CC(C)CCN(C)C(=O)c1ccc2OCOc2c1

0.382

View
CC(C)CC(C)N(C)C(=O)c1ccc2OCOc2c1

0.382

View
CC(C)(C)CC(C)(C)NC(=O)c1ccc2OCOc2c1

0.382

View
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2OCOc2c1

0.382

View
CC1(C)CCCC1NC(=O)c1ccc2OCOc2c1

0.380

View
CC1CCCCC1NC(=O)c1ccc2OCOc2c1

0.380

View
O=C(NCCCC1CCCC1)c1ccc2OCOc2c1

0.378

View
CCN(CC1CC1)C(=O)c1ccc2OCOc2c1

0.377

View
CCC(C)CN(C)C(=O)c1ccc2OCOc2c1

0.377

View
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2OCOc2c1

0.375

View
CC1CCC(CC1)NC(=O)c1ccc2OCOc2c1

0.371

View
CN(C)[C@H]1C[C@H]2C[C@H](C[C@H]2C1)N(C)C(=O)c1ccc2OCOc2c1 |r|

0.371

View
CCCCN(C(C)CC)C(=O)c1ccc2OCOc2c1

0.361

View
CC(C)CCCC(C)NC(=O)c1ccc2OCOc2c1

0.361

View
CCCCC(CC)CNC(=O)c1ccc2OCOc2c1

0.360

View
CCN(CC(C)C#N)C(=O)c1ccc2OCOc2c1

0.356

View
O=C(NCCCCc1ccccc1)c1ccc2OCOc2c1

0.355

View
COc1cc(cc(OC)c1OC)C(=O)N1CCCCCC1

0.355

View
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1

0.346

View
COc1cccc(c1)C(=O)N(Cc1ccc2OCOc2c1)C1CCCC1

0.284

View
C(N1CCCCCC1)(=O)C1=CC=C2C(OCO2)=C1

1.000

View
C(N1CCCCCCC1)(=O)C1=CC=C2C(OCO2)=C1

0.978

View
C(N1CCCCC1)(C1=CC=C2C(OCO2)=C1)=O

0.957

View
C(N1CCCC1)(=O)C1=CC=C2C(OCO2)=C1

0.913

View
C(N1CCC(C)CC1)(=O)C1=CC=C2C(OCO2)=C1

0.661

View
C(N1CCC(=C)CCC1)(C1=CC=C2C(OCO2)=C1)=O

0.650

View
C(N1CCCC(C)C1)(=O)C1=CC=C2C(OCO2)=C1

0.617

View
C(N1CCC(CCC)CC1)(C1=CC=C2C(OCO2)=C1)=O

0.597

View
C(N1C(C)CCCC1)(=O)C1=CC=C2C(OCO2)=C1

0.565

View
C(N1CCCC(C(C)C)C1)(=O)C1=CC=C2C(OCO2)=C1

0.561

View
C(N1CCC(C(C)C)C1)(C1=CC=C2C(OCO2)=C1)=O

0.556

View
C(N1C(CC)CCCC1)(=O)C1=CC=C2C(OCO2)=C1

0.530

View
C(N1CCCCCC1)(=O)C1=CC(OC)=C(OC)C=C1

0.426

View
C(N(CCC)CCC)(=O)C1=CC=C2C(OCO2)=C1

0.413

View
C(N(CCCCCC)CCCCCC)(C1=CC=C2C(OCO2)=C1)=O

0.403

View
C(N(CCCC)CCCC)(=O)C1=CC=C2C(OCO2)=C1

0.400

View
C(N(CCC(C)C)CCC(C)C)(=O)C1=CC=C2C(OCO2)=C1

0.388

View
C(N(CCCC)CC)(=O)C1=CC=C2C(OCO2)=C1

0.382

View
C(N(CC1CCCCCCC1)CCC)(=O)C1=CC=C2C(OCO2)=C1

0.364

View
C(N(CCC)CC1CC1)(=O)C1=CC=C2C(OCO2)=C1

0.361

View

Discussion: