Molecule Details

Molecular Properties
SMILES:
Cc1ccc(OCC(=O)N2CCN(C)CC2)cc1
MW: 248.326
Fraction sp3: 0.5
HBA: 3
HBD: 0
Rotatable Bonds: 3
TPSA: 32.78
cLogP: 1.14782
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: EN300-6718559
Enamine SCR: Z2856434836
Enamine REAL: Z31432917
Enamine Extended REAL: s_22____57674____60027
Mcule: MCULE-5481586257
Mcule Ultimate: GIIIJZOPGUFGBF-UHFFFAOYSA-N
MolPort: MolPort-006-835-361
CN1CCN(C(=O)COc2ccc(-c3ccoc3C(=O)N3CCN(C(=O)CCl)CC3)cc2)CC1

RAF-UNK-9885c2f5-2
0.493

View
Cc1ccc(OCC(=O)N2CCN(c3ccc(CN4CCC(O)CC4)cc3)CC2)cc1

MAK-UNK-acefcb18-20
0.486

View
Cc1ccc(OCC(=O)N2CCN(CCCCC(=O)Nc3cnccc3C)CC2)cc1

PET-SGC-fedd1f79-1
0.469

View
Cc1ccc(OCC(=O)N2CCN(c3cnc(CN4CCC(O)CC4)cn3)CC2)cc1

MAK-UNK-acefcb18-21
0.462

View
Cc1ccc(OCC(=O)N2CCN(CCN3CCN(CCC4CN=C5N=CC=CC54)CC3)CC2)cc1

WIL-WAB-1289c0dd-1
0.440

View
CN1CCN(C(=O)COc2ccc(C3CN(C(=O)c4ccco4)CCN3C(=O)CCl)cc2)CC1

RAF-UNK-9885c2f5-1
0.424

View
Cc1ccc(OCC(=O)N2CC3C(CC(=O)Nc4cccnc4)C(C2)N3C)cc1

SAD-SAT-cefd50cc-7
0.402

View
Cc1ccc(OCC(=O)N2CCN3CCc4ccc(S(N)(=O)=O)cc4C3C2)cc1

PET-SGC-ae7b447e-1
0.400

View
CN1CCN(C(=O)COc2cccc3c2cnn3-c2ccccc2)CC1

NAU-LAT-ec9c7557-3
0.375

View
Cc1ccc(OCC(=O)N2CCN(C3CCCN(C(=O)CCNC(=O)C4CCN(Cc5ccsc5)CC4)C3)CC2)cc1

MAK-UNK-acefcb18-29
0.356

View
Cc1ccc(OCC(=O)Nc2ccc(C#N)cn2)cc1

PET-SGC-cb62ec31-1
0.353

View
Cc1ccc(-n2c(=O)n(CC(=O)N3CCN(C)CC3)c3cccnc32)cc1

MAR-TRE-3e4e6814-10
0.350

View
CCCNC(=O)CCOc1ccc(C)cc1

MAK-UNK-5e88aa6a-1
0.349

View
CN1CCN(C(=O)COc2ccc(-c3ccc4c(c3)C(=O)C=C(C/C=C/OC3CCN(Cc5ccsc5)CC3)C4=O)cc2)CC1

MAK-UNK-acefcb18-30
0.345

View
CN1CCN(C(=O)Cc2n[nH]c3ncccc23)CC1

IND-SYN-6c8299e8-4
0.342

View
Cc1ccc(OCC(=O)c2c[nH]c(CN3CCC(O)CC3)n2)cc1

MAK-UNK-acefcb18-22
0.342

View
Cc1ccc(OCC(=O)CCN2CCCc3ccc(S(N)(=O)=O)cc32)cc1

NAU-LAT-42d4957e-2
0.341

View
CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

AAR-POS-d2a4d1df-20
0.324

View
CN1CCN(C(=O)CNc2c(S(N)(=O)=O)ccc3ccccc23)CC1

JAR-KUA-672ec752-3
0.321

View
Cc1ccc(Cc2cnc(NC(=O)COc3ccc(C)cc3)s2)cc1

MAT-POS-b5746674-74
0.320

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

AHN-SAT-de2502ba-8
0.317

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

AAR-POS-d2a4d1df-25
0.317

View
Cc1ccc2cc(CNCC(=O)N3CCN(C)CC3)[nH]c2c1

JAR-KUA-672ec752-11
0.316

View
CN1CCN(C(=O)Cc2c(F)[nH]c3ncccc23)CC1

SID-ELM-1f105489-3
0.316

View
CCn1c(C(=O)COc2ccc(C)cc2)cnc1CN1CCC(O)CC1

MAK-UNK-acefcb18-23
0.313

View
CN1CCN(C(=O)Cc2c(Cl)[nH]c3ncccc23)CC1

SID-ELM-1f105489-6
0.312

View
CN1CCN(C(=O)CN2CCNCC2)CC1

MAK-UNK-b1917cc8-3
0.311

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

MAK-UNK-b1917cc8-1
0.309

View
CN1CCN(C(=O)Cc2c(Cl)[nH]c3nccnc23)CC1

SID-ELM-1f105489-8
0.307

View
CN1CCN(C(=O)Cc2c[nH]c3ncncc23)CC1

SID-ELM-1f105489-1
0.307

View
CN1CCN(C(=O)CCN2CCNCC2)CC1

MAK-UNK-b1917cc8-2
0.306

View
Cc1ccc(OCC(=O)c2cc(CN3CCC(O)CC3)oc2C(F)(F)F)cc1

MAK-UNK-acefcb18-24
0.306

View
Cc1ccc(OCC(N)C(=O)c2ccsc2)cc1

MAK-UNK-acefcb18-1
0.304

View
Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1

MAT-POS-b5746674-72
0.304

View
CN1CCN(C(=O)COCSCC2OC(c3ccsc3)C(O)C2O)CC1

MAK-UNK-acefcb18-14
0.302

View
CN1CCN(C(=O)Nc2c[nH]c3nccnc23)CC1

SID-ELM-1f105489-11
0.301

View
CN1CCN(C(=O)Cc2c[nH]c3nccnc23)CC1

SID-ELM-1f105489-2
0.301

View
Cc1ccc(OCCC(C)N2CCC(O)CC2)cc1

MAK-UNK-acefcb18-17
0.300

View
Cc1ccc(OCCC(NC(=O)c2ccc(C=O)cc2)N2CCC(O)CC2)cc1

MAK-UNK-acefcb18-18
0.299

View
CN1CCN(C(=O)Cc2c(F)[nH]c3ncncc23)CC1

SID-ELM-1f105489-4
0.299

View
CCC(=O)NC(CCOc1ccc(C)cc1)N1CCC(O)CC1

MAK-UNK-acefcb18-16
0.299

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

MAR-TRE-6a44bbf2-68
0.299

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

AAR-POS-d2a4d1df-27
0.299

View
CN1CCN(C(=O)Cc2c(F)[nH]c3nccnc23)CC1

SID-ELM-1f105489-5
0.297

View
CN1CCN(C(=O)Cc2c(Cl)[nH]c3ncncc23)CC1

SID-ELM-1f105489-7
0.295

View
Cc1ccc(OCC(=O)NCC2NCCc3ccc(S(N)(=O)=O)cc32)cc1

NAU-LAT-42d4957e-1
0.292

View
Cc1ccc(NC(=O)CN2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-12
0.286

View
CN1CCN(C(=O)Nc2ccccc2)CC1

AAR-POS-0daf6b7e-44
0.286

View
CN1CCN(C(=O)Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1

SAD-SAT-135344c3-7
0.286

View
CCNCc1cn(CC(=O)N2CCN(C)CC2)nn1

JAR-KUA-672ec752-14
0.284

View
Cc1ccc(OC/C=C\Cc2ccsc2)cc1

MAK-UNK-acefcb18-3
0.284

View
Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-21
0.282

View
CCN1C(=O)[C@@H](CC(=O)N2CCN(C)CC2)Sc2ncccc21

MAR-TRE-67513f76-5
0.280

View
Cc1ccc(OCC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1

WAR-XCH-b6889685-15
0.280

View
CN1CCN(C(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)CC1

MAR-TRE-4b834d9a-32
0.277

View
Cc1ccc(C(c2cccc(C)c2)N2CCN(C(=O)CCl)CC2)cc1

MED-COV-4280ac29-23
0.276

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.275

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.275

View
Cc1ccc(OCCC(O)c2ccsc2)cc1

MAK-UNK-acefcb18-2
0.275

View
CN1CCN(C(=O)C(CO)c2c[nH]c3ncccc23)CC1

NIC-BIO-5044b423-1
0.275

View
Cc1ccc(OCCCCC2NCC(c3cc(C)cc(CN4CCN(C(=O)CCl)CC4)c3)CC2=O)cc1

MAK-UNK-af83ef51-33
0.275

View
Cc1ccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)cc1

GIA-UNK-7337c2f3-7
0.274

View
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-22
0.274

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

ALE-SYG-bac15da4-2
0.273

View
CN1CCN(C(=O)Nc2c[nH]c3ncccc23)CC1

SID-ELM-1f105489-9
0.273

View
COc1ccc(N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-0daf6b7e-18
0.269

View
Cc1ccc(CCC(c2cccc(Cl)c2)N2CCN(C(=O)CCl)CC2)cc1

PAU-WEI-b9b69149-3
0.262

View
CC(=O)N1CCN(Oc2ccsc2)CC1

MAK-UNK-212f693e-1
0.262

View
Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.261

View
O=C(CCl)N1CCN(Oc2ccsc2)CC1

MAK-UNK-212f693e-9
0.261

View
CN1CCN(C(=O)Nc2cccnc2)CC1

ALE-HEI-f28a35b5-16
0.261

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1

WAR-XCH-79d12f6e-4
0.260

View
Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1

NIM-UNI-05f93fcc-11
0.260

View
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-30
0.257

View
CC(=O)OCC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12

NIC-BIO-2722da07-1
0.256

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(CNC(=O)c4ccccc4)cc23)CC1

NIC-UNI-f08e2453-1
0.255

View
Cc1ccc(OCCN2C(=O)C(=O)c3cccc(Cl)c32)cc1

LOR-NOR-30067bb9-5
0.253

View
CN1CCN(C(=O)C2(c3c[nH]c4ncccc34)CC2)CC1

NIC-BIO-174c9b04-2
0.253

View
Cc1ccc(-n2c(=O)n(CC(=O)N3CCN(C4CCN(C)CC4)CC3)c3cccnc32)cc1

MAR-TRE-4b834d9a-30
0.250

View
CN1CCN(C(=O)Nc2c(Cl)[nH]c3ncccc23)CC1

SID-ELM-1f105489-17
0.250

View
CC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12

NIC-BIO-174c9b04-1
0.250

View
COc1ccc([C@@H](C#N)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-77
0.250

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

MAK-UNK-7c9d1431-17
0.250

View
CN1CCN(C(=O)Nc2c(F)[nH]c3ncccc23)CC1

SID-ELM-1f105489-12
0.250

View
CNc1oc(COc2ccc(C)cc2)nc1C#N

MAR-TRE-1c920f6f-78
0.247

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.247

View
Cc1cccc(N2CCN(C(=O)CCl)CC2)c1

SAD-SAT-5b1897b2-4
0.246

View
CCCC1CCC(Oc2ccc(C)cc2)CC1

MAK-UNK-5e88aa6a-2
0.246

View
CN1CCN(C(=O)Cc2c[nH]c3nccc(NC(=O)NC4CCCCC4)c23)CC1

DAR-DIA-03336633-12
0.245

View
Cc1ccc(CCC(c2cccc(C#N)c2)N2CCN(C(=O)CCl)CC2)cc1

PAU-WEI-b9b69149-6
0.244

View
CN1CCN(C(=O)Nc2c[nH]c3ncncc23)CC1

SID-ELM-1f105489-10
0.244

View
Cc1cc(N2CCN(C(=O)CCl)CC2)nc(C(C)C)n1

MAR-TRE-6a44bbf2-41
0.243

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c(C)c1

AAR-POS-d2a4d1df-36
0.243

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

AAR-POS-0daf6b7e-3
0.243

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-13
0.243

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

WAR-XCH-79d12f6e-6
0.243

View
CN1CCN(C(=O)C2C[C@@H]3CC[C@H](C2)N3C(=O)CCl)CC1

ALE-SYG-bac15da4-1
0.243

View
CCC(=O)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-18
0.243

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

DAV-UNK-07f953a2-3
0.242

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(CNC(=O)NC4CCCCC4)cc23)CC1

NIC-UNI-f08e2453-2
0.242

View
CC1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

1.000

View
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCN(C)CC3)C=C2)C=C1

0.824

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C(=O)N3CCN(C)CC3)CC2)C=C1

0.824

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.818

View
CC1=CC=C(OCC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)C=C1

0.796

View
CC1=CC=C(OCC(=O)N2CCCN(C)CC2)C=C1

0.788

View
CC1=CC=C(OCC(=O)N2CCN(CCC(=O)N3CCN(C)CC3)CC2)C=C1

0.768

View
CC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.735

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CO)CC2)C=C1

0.735

View
CC1=CC=C(OCC(=O)N2CCN(C(N)=O)CC2)C=C1

0.735

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CN3CCN(C)CC3)CC2)C=C1

0.732

View
CC1=CC=C(OCC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C=C1

0.732

View
CC1=CC=C(OCC(=O)N2CCC2)C=C1

0.723

View
CCC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.720

View
COCC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.720

View
COC1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

0.720

View
CCOC1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

0.720

View
CC1=CC=C(OCC(=O)N2CCCC2)C=C1

0.708

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=CC=C3)CC2)C=C1

0.706

View
CCOC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.706

View
COC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.706

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CCl)CC2)C=C1

0.706

View
CN1CCN(C(=O)COC2=CC=C(Cl)C=C2)CC1

0.706

View
CN1CCN(C(=O)COC2=CC=C(I)C=C2)CC1

0.706

View
CN1CCN(C(=O)COC2=CC=C(F)C=C2)CC1

0.706

View
CN1CCN(C(=O)COC2=CC=C(Br)C=C2)CC1

0.706

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CN)CC2)C=C1

0.706

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CON)CC2)C=C1

0.706

View
CN1CCN(C(=O)COC2=CC=C(CO)C=C2)CC1

0.706

View
CC1=CC=C(OCC(=O)N2CCCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.700

View
CC1=CC=C(OCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)C=C1

0.695

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)CC2)C=C1

0.694

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(F)C=C3)CC2)C=C1

0.692

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(Cl)C=C3)CC2)C=C1

0.692

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(I)C=C3)CC2)C=C1

0.692

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(Br)C=C3)CC2)C=C1

0.692

View
CCC1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

0.692

View
CC(C)C1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

0.692

View
CON1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.692

View
CCCC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.692

View
CCN1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.692

View
CN1CCN(C(=O)COC2=CC=C(C=O)C=C2)CC1

0.692

View
CCCN1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.685

View
CC1=CC=C(OCCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.685

View
CC1=CC=C(OCC(=O)N2CCCCCC2)C=C1

0.680

View
CC1=CC=C(OCC(=O)N2CCCCC2)C=C1

0.680

View
CN1CCN(C(=O)COC2=CC=CC=C2)CC1

0.680

View
CCOCC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.679

View
CCC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.679

View
CCCOC1=CC=C(OCC(=O)N2CCN(C)CC2)C=C1

0.679

View
COC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.679

View
CC1=CC=C(OCC(=O)N2CCN(C(C)C)CC2)C=C1

0.679

View
CC1=CC=C(OCC(=O)N2CCC(N3CCN(C)CC3)CC2)C=C1

0.672

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C(C)N3CCN(C)CC3)CC2)C=C1

0.672

View
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCCN(C)CC3)C=C2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC(C)=CC(C)=C3)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCCCCCC2)C=C1

0.667

View
CCCOC1=CC=C(OCC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CN(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)N3CCC3)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CCN)CC2)C=C1

0.667

View
CNCC(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C(=O)N3CCC3)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CC(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC(C)(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC(C)C)CC2)C=C1

0.667

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C3CCN(C)CC3)CC2)C=C1

0.661

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COC3CCN(C)CC3)CC2)C=C1

0.661

View
CN1CCN(C(=O)COC2=CC=C(C3=CC=CC=C3)C=C2)CC1

0.661

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

0.655

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)COCC(=O)O)CC2)C=C1

0.655

View
CC1=CC=C(OCC(=O)N2CCC3(CCN(C)CC3)CC2)C=C1

0.649

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

0.643

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C=C1

0.643

View
CC1=CC=C(CC(=O)N2CCN(C(=O)COC3=CC=C(C)C=C3)CC2)C=C1

0.643

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)N3CCCC3)CC2)C=C1

0.643

View
CC(C)=C(C)C(=O)N1CCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.643

View
CC1=CC=C(OCCC(=O)N2CCN(C)CC2)C=C1

0.642

View
CC1=CC=C(OCC(=O)N2CCSSCC2)C=C1

0.642

View
CC1=CC=C(OCC(=O)N2CCNCC2)C=C1

0.642

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C3(C)CCN(C)CC3)CC2)C=C1

0.639

View
CC1=CC=C(OCC(=O)N2CC(N3CCN(C)CC3)C2)C=C1

0.638

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)C3(C)CC3)CC2)C=C1

0.632

View
CC1=CC=C(OCC(=O)N2CCC(CN3CCN(C)CC3)CC2)C=C1

0.629

View
CC1=CC=C(OCC(=O)NCC(=O)N2CCN(C)CC2)C=C1

0.627

View
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C=C2)C=C1

0.625

View
CCC(=O)N1CCCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.625

View
CC(=O)N1CCCN(C(=O)COC2=CC=C(C)C=C2)CC1

0.625

View
CC1=CC(C)=CC(OCC(=O)N2CCN(C)CC2)=C1

0.623

View
CC1=CC=C(OCC(=O)N2CCN(C)CC(C)C2)C=C1

0.621

View
CC1=CC=C(OCC(=O)N2CCC(=O)N(C)CC2)C=C1

0.621

View
CN1CCN(C(=O)COC2=CC=C(OC3=CC=CC=C3)C=C2)CC1

0.621

View
CC1=CC=C(OCC(=O)N2CCN(C(=O)N3CCCCC3)CC2)C=C1

0.621

View
CC1=CC=C(OCC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)C=C1

0.619

View
CC(=O)N1CCN(C(=O)COC2=CC=C(OC3=CC=C(C)C=C3)C=C2)CC1

0.614

View
CCC(=O)N1CCN(C(=O)COC2=CC=C(OC3=CC=C(C)C=C3)C=C2)CC1

0.603

View
COCC(=O)N1CCN(C(=O)COC2=CC=C(OC3=CC=C(C)C=C3)C=C2)CC1

0.603

View
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)C=C2)C=C1

0.597

View
CN1CCN(CC1)C(=O)COc1ccc(C)cc1

1.000

View
Cl.CN1CCN(CC1)C(=O)COc1ccc(C)cc1

0.977

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(C)cc2)cc1

0.818

View
CN1CCCN(CC1)C(=O)COc1ccc(C)cc1

0.788

View
COCC(=O)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.720

View
COc1ccc(OCC(=O)N2CCN(C)CC2)cc1

0.720

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccccc2)cc1

0.706

View
COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(C)cc2)cc1

0.706

View
Cl.COc1ccc(OCC(=O)N2CCN(C)CC2)cc1

0.706

View
Cc1ccc(OCC(=O)N2CCCN(CC2)C(=O)COc2ccc(C)cc2)cc1

0.700

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(Br)cc2)cc1

0.692

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)cc1

0.692

View
CC(C)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.679

View
Cl.CN1CCN(CC1)C(=O)COc1ccc(cc1)C(C)(C)C

0.679

View
CC(C)CC(=O)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.667

View
CN1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

0.661

View
OC(=O)C(O)=O.CC(C)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.643

View
CCC(C)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.632

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(cc2)-c2ccccc2)cc1

0.632

View
Cl.Cc1ccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)cc1

0.632

View
CC(N1CCN(CC1)C(=O)COc1ccc(C)cc1)C(N)=O

0.632

View
CN1CCN(CC1)C(=O)COc1ccc(CC#N)cc1

0.632

View
Cl.Cc1ccc(OCC(=O)N2CCNCC2)cc1

0.630

View
CN1CCN(CC1)C(=O)COc1cc(C)cc(C)c1

0.623

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)cc1

0.621

View
CN1CCN(CC1)C(=O)COc1ccc(C)c(C)c1

0.607

View
OC(=O)C(O)=O.CCC(C)N1CCN(CC1)C(=O)COc1ccc(C)cc1

0.600

View
Cl.CN1CCN(CC1)C(=O)COc1cccc(C)c1

0.586

View
Cc1ccc(OCC(=O)NCCN2CCN(CC2)C(=O)COc2ccc(C)cc2)cc1

0.578

View
Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc3ccccc3c2)cc1

0.571

View
Cc1ccc(OCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1

0.571

View
COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(OC)cc2)cc1

0.569

View
CN1CCN(CC1)C(=O)COc1ccc(C)cc1C

0.552

View
CCc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(CC)cc2)cc1

0.547

View
CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(cc2)C(C)(C)C)cc1

0.547

View
Cc1ccc(OCC(=O)N2CCNC(=O)C2)cc1

0.525

View
O=C(COc1ccccc1)N1CCN(CC1)C(=O)COc1ccccc1

0.510

View
COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccccc2)cc1

0.500

View
CC(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)C#N

0.492

View
CCN1CCN(CC1)C(=O)COc1ccc(OC)cc1

0.492

View
CCN1CCN(CC1)C(=O)COc1ccc(CC)cc1

0.483

View
O=C(COc1ccccc1)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

0.483

View
COc1ccc(OCC(=O)N2CCN(CC2)C(C)C)cc1

0.483

View
CC(=O)N1CCN(CC1)C(=O)COc1ccccc1

0.482

View
Cc1cc(C)cc(OCC(=O)N2CCN(CC2)C(=O)COc2cc(C)cc(C)c2)c1

0.481

View
COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)cc1

0.477

View
OCCN1CCN(CC1)C(=O)COc1ccc(cc1)C(F)(F)F

0.476

View
CCN1CCN(CC1)C(=O)COc1ccc(cc1)C(C)(C)C

0.475

View
CCN1CCN(CC1)C(=O)COc1ccc(cc1)C(C)C

0.475

View
COCC(=O)N1CCN(CC1)C(=O)COc1ccccc1

0.474

View
CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)C=O)cc1

0.468

View
Cc1cccc(OCC(=O)N2CCN(CC2)C(=O)COc2cccc(C)c2)c1

0.466

View
OCCN1CCN(CC1)C(=O)COc1ccc(CC#N)cc1

0.462

View
Cc1cccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccccc2)c1

0.460

View
CC(=O)N1CCN(CC1)C(=O)COc1ccc(CC#N)cc1

0.460

View
CCCN1CCN(CC1)C(=O)COc1ccccc1

0.459

View
CCN1CCN(CC1)C(=O)COc1ccccc1

0.458

View
CC(C)N1CCN(CC1)C(=O)COc1ccccc1

0.450

View
CCc1ccc(OCC(=O)N2CCN(CC=C)CC2)cc1

0.439

View
[Cl-].COc1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1

0.435

View
CC(C)N1CCN(CC1)C(=O)COc1ccc(CC#N)cc1

0.433

View
O=C(COc1ccc(cc1)C#N)N1CCN(CC1)C1CC1

0.431

View
Cc1cc(C)c(OCC(=O)N2CCN(CC2)C(=O)COc2c(C)cc(C)cc2C)c(C)c1

0.421

View
C=CCN1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

0.420

View
CCCN1CCN(CC1)C(=O)COc1cccc(C)c1

0.412

View
Cc1ccc(OCC(=O)NCCNC(=O)COc2ccc(C)cc2)cc1

0.411

View
CCN(CC)C(=O)COc1ccc(C)cc1

0.411

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

0.409

View
Cl.Cc1ccc(OCC(=O)NCCN2CCCC2)cc1

0.403

View
CC(C)N1CCN(CC1)C(=O)COc1cccc(C)c1

0.403

View
Cl.O=C(COc1ccccc1)N1CCNCC1

0.393

View
Cc1ccc(OCC(=O)N2CCN(CC=C)CC2)cc1C

0.386

View
Cl.Cc1ccc(OCC(=O)NCCN2CCOCC2)cc1

0.380

View
O=C(COc1ccccc1)NCCN1CCN(CC1)C(=O)COc1ccccc1

0.380

View
Cl.Cc1cccc(OCC(=O)N2CCNCC2)c1

0.368

View
CC(CNC(=O)COc1ccc(C)cc1)NC(=O)COc1ccc(C)cc1

0.364

View
CC(Oc1ccc(C)cc1)C(=O)N1CCN(CC1)C(=O)C(C)Oc1ccc(C)cc1

0.350

View
CCCN1CCN(CC1)C(=O)C(C)(C)Oc1ccc(C)cc1

0.329

View
CCN1CCN(CC1)C(=O)C(C)Oc1ccc(C)cc1

0.324

View
Cc1ccc(OCCN2CCNC(=O)C2)cc1

0.319

View
CN1CCN(CCNC(=O)COc2ccc(C)c(C)c2)CC1

0.311

View
CC(Oc1ccc(C)cc1)C(=O)N1CCN(CC=C)CC1

0.301

View
CNC(=O)CN1CCN(CC1)C(=O)C(C)Oc1ccc(C)cc1

0.301

View
CCN1CCN(CCNC(=O)COc2ccc(CC)cc2)CC1

0.276

View
CCc1ccc(OCC(=O)NCCN2CCOCC2)cc1

0.256

View
CCc1ccc(OCC(=O)NCCNC(=O)COc2ccc(CC)cc2)cc1

0.246

View
CN(CCN(C)C(=O)COc1ccc(CO)cc1)C1CC1

0.243

View
O=C(COc1ccc(cc1)-c1ccccc1)NCCN1CCOCC1

0.241

View
CC(C)c1ccc(OCC(=O)NCCN(C)C)cc1

0.239

View
Cl.O=C(COc1ccc(cc1)-c1ccccc1)NCCN1CCOCC1

0.238

View
O=C(COc1ccc(cc1)C#N)NCCN1CCOCC1

0.237

View
Cl.CC(C)c1ccc(OCC(=O)NCCN(C)C)cc1

0.236

View
Cc1ccc(OCC(=O)NCCN2CCOCC2)cc1C

0.235

View
CCN(CC)C(=O)CN(C)C(=O)COc1ccc(C=O)cc1

0.233

View
Cl.CCN(CC)CCNC(=O)COc1ccc(cc1)C(C)(C)C

0.227

View
CCc1ccc(OCC(=O)NCCN(C)C)cc1

0.225

View
CCc1ccc(OCC(=O)NCCN(C)CCOC)cc1

0.212

View
CCN(CC)CCNC(=O)COc1ccccc1

0.208

View
CC(C)N(C)CCNC(=O)COc1ccc(cc1)C#N

0.208

View
Cl.CCN(CC)CCNC(=O)COc1ccccc1

0.205

View
C(N1CCN(C)CC1)(=O)COC1=CC=C(C)C=C1

1.000

View
C(N1CCN(CC)CC1)(=O)COC1=CC=C(C)C=C1

0.993

View
C(N1CCN(C=O)CC1)(=O)COC1=CC=C(C)C=C1

0.968

View
C(N1CCN(CCC)CC1)(=O)COC1=CC=C(C)C=C1

0.958

View
C(N1CCN(CC#N)CC1)(=O)COC1=CC=C(C)C=C1

0.951

View

Discussion: