Molecule Details

Molecular Properties
SMILES:
OCC1CN(Cc2ccccc2)CCO1
MW: 207.273
Fraction sp3: 0.5
HBA: 3
HBD: 1
Rotatable Bonds: 3
TPSA: 32.7
cLogP: 0.8797
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: EN300-69999
Enamine SCR: Z1123700045
Mcule: MCULE-8374953784
MolPort: MolPort-020-014-046
c1ccc(CN2CCOC(COc3ccccn3)C2)cc1

MAK-UNK-a7992eb3-23
0.538

View
O=S1(=O)CC(OCC2CN(Cc3ccccc3)CCO2)C1

MAK-UNK-a7992eb3-22
0.538

View
c1ccc(CN2CCOC(COC3CCN(Cc4ccsc4)CC3)C2)cc1

MAK-UNK-a7992eb3-10
0.461

View
CC1C(OCC2CN(Cc3ccccc3)CCO2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-20
0.461

View
c1ccc(CN2CCOC(COCC3(c4ccccn4)CCCC3)C2)cc1

MAK-UNK-a7992eb3-24
0.455

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.434

View
O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.409

View
CC(=O)NC(Cc1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-18
0.391

View
c1ccc(CN2CCNCC2)cc1

DRA-CSI-47e38074-1
0.389

View
c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

MAK-UNK-a7992eb3-19
0.380

View
O=C(S)C1CCN(Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-3
0.367

View
O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.350

View
C=CC(=O)N1CCN(Cc2ccccc2)CC1

SAD-SAT-1f400d17-1
0.344

View
CNC(=O)OC1CCN(Cc2ccccc2)CC1

GIA-UNK-595fac82-5
0.328

View
N=CC1CN(Cc2cccc(Cl)c2)CCO1

ASH-SAT-43770c7d-3
0.324

View
C=CC(=O)N1CCCN(Cc2ccccc2)CC1

ANT-OPE-c0c3e7cc-1
0.324

View
CC1C(O)CCCN1Cc1ccccc1

MAK-UNK-6435e6c2-9
0.312

View
CC1C(O)CCCN1Cc1ccccc1

AAR-POS-0daf6b7e-26
0.312

View
O=C(NS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-43
0.303

View
O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-83
0.289

View
N#CC(C(=O)CN1CCOCC1)c1ccccc1

MAR-TRE-0fda4e82-37
0.286

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@@H]1Cc1ccccc1

DAN-LON-a5fc619e-10
0.278

View
O=C(NC1(C(=O)O)CCN(Cc2ccccc2)C1)c1cncnc1

MAR-TRE-66ac689e-7
0.278

View
O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-34
0.278

View
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C

FRA-BIO-8bf1eac9-8
0.277

View
N=C(N)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-5
0.270

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.268

View
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.268

View
Clc1cccc(CN2CCOCC2)c1

AAR-POS-0daf6b7e-29
0.266

View
O=C(CCl)N1CCN(Cc2ncc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-8
0.263

View
O=C(CCl)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-25
0.263

View
O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccnc1

MAK-UNK-009ebe36-8
0.262

View
Cn1cc2c(n1)C(=O)N(C[C@@H]1CCCO1)CN2CCc1ccccc1

PAU-UNI-6d15a9f5-3
0.261

View
O=C(C1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-5
0.261

View
CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1ccccc1

SAD-SAT-c989feaa-4
0.260

View
O=C(CCl)N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1

STE-KUL-2e0d2e88-7
0.256

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1c1ccccc1

DAN-LON-a5fc619e-5
0.256

View
O=C(CCl)N1CC2CC1CN2Cc1cnc(Cc2ccccc2)s1

MAK-UNK-ec98eaf6-11
0.256

View
CC(C)Cn1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O

MAT-POS-b5746674-105
0.255

View
CC(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-2
0.254

View
O=C(CCl)N1CCN(CCCc2ccccc2)CC1

MAK-UNK-15efde89-1
0.254

View
O=C(CCl)N1CC2CC1CN2Cc1ncc(Cc2ccccc2)s1

MAK-UNK-ec98eaf6-2
0.253

View
O=C(NCC1CC2(CCO1)NC(=O)N(Cc1ccccc1)C2=O)c1cncnc1

MAR-TRE-799db12b-21
0.253

View
CC1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

MED-COV-4280ac29-13
0.250

View
c1cc(Cc2ccc3cc2C3)cc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-19
0.250

View
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-4b834d9a-28
0.247

View
CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-af83ef51-2
0.247

View
CC(=O)N1CCN(Cc2cccs2)CC1C1C(O)CCCN1Cc1ccccc1

MAK-UNK-b1d4dcd7-10
0.245

View
c1ccc(SCCN2CCOCC2)cc1

AAR-POS-0daf6b7e-28
0.242

View
Cc1cccc(-c2cc(CN3CCC(O)CC3)nn2Cc2ccccc2)c1

MAK-UNK-e4a48a85-4
0.241

View
CC1CN(CC(=O)C(C#N)c2ccccc2)CC(C)O1

MAR-TRE-0fda4e82-57
0.240

View
Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)NC2CC2)no1

IFT-SAT-023cfffe-2
0.240

View
CCNC(=N)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-16
0.239

View
NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccccc1

DUN-NEW-d8381160-1
0.237

View
O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-9
0.237

View
O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.237

View
Cn1cc(CCCc2ccccc2)c(C(=O)NC[C@@H]2CCCO2)n1

PAU-UNI-6d15a9f5-1
0.236

View
O=S(=O)(NCCc1ccccc1)C1CN(Cc2ccsc2)CCC1O

MAK-UNK-31051d4e-6
0.236

View
Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccccc1

MED-COV-4280ac29-19
0.235

View
Cc1cc(CN(CC2C(O)CCCN2Cc2ccccc2)C(=O)CCl)no1

MAK-UNK-987948f6-1
0.234

View
O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.234

View
O=C(c1ccccc1)N1CCN(C(=O)C2CCOCC2)CC1

GIA-UNK-eaadd1d4-1
0.233

View
O=C(CC(=O)N1CCOCC1)NCc1ccccc1

GIA-UNK-3f36037a-6
0.233

View
O=C(S)C1CCN(C(=O)Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-5
0.232

View
O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1

BRU-UNI-418e22dc-3
0.232

View
CC(C)Cn1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O

MAT-POS-b5746674-110
0.231

View
O=C(c1cnccn1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-11
0.231

View
O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-ec98eaf6-5
0.230

View
CC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1

AAR-POS-fca48359-5
0.230

View
C=CC(=O)N1CCN(C(C)CCc2ccccc2)CC1

MAK-UNK-10dfa458-9
0.230

View
Cc1ccncc1CCc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-16
0.229

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

DRA-CSI-47e38074-12
0.229

View
COC(=O)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-3
0.229

View
COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3o2)c(Br)c1

DRA-CSI-0a78d9ba-5
0.229

View
O=C(O)C(CCc1ccccc1)n1ccn(C(CCc2ccccc2)C(=O)O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-11
0.229

View
Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.229

View
O=C(CC1C(O)CCCN1Cc1ccccc1)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-4
0.228

View
O=c1c2ncccc2n(Cc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2

MAR-TRE-04c86cea-61
0.228

View
COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3o2)cc1

DRA-CSI-0a78d9ba-1
0.228

View
O=C(CN1CCN(c2ncccn2)CC1)N1CCOC(c2ccccc2)C1

MAR-TRE-dab8f6ea-15
0.227

View
O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1

MAK-UNK-987948f6-2
0.227

View
CC(=O)N(c1cccc(CN2CCOCC2)c1)c1cnccc1C

SAD-SAT-7d5528d9-3
0.227

View
CC(=O)Nc1cnccc1Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-2
0.227

View
O=C(CCl)N1CCN(C(c2ccccc2)C(CCO)CCO)CC1

GIA-UNK-20b63697-1
0.227

View
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-82e3a7c7-10
0.226

View
NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1

MAR-SOS-c7881798-11
0.226

View
CC1C(OC2CS(=O)(=O)C2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-11
0.225

View
N#CC(CCc1ccccc1)N1CCN(C(=O)CCl)CC1

MAK-UNK-10dfa458-39
0.224

View
O=C(c1cc[nH]c1)N1CCC(Cc2ccccc2)CC1

DRA-CSI-47e38074-10
0.224

View
O=C(C1CCCN1C(=O)c1ccccc1)N1CCOCC1

GIA-UNK-d2defdc3-6
0.224

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAR-TRE-6a44bbf2-28
0.222

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.222

View
C[C@H](N[C@@H](CCc1ccccc1)C(=O)OCS)C(=O)N1CCC[C@H]1C(=O)O

DAV-UNI-bdcebb58-4
0.222

View
CN(Cc1cc(CC2C(O)CCCN2Cc2ccccc2)on1)C(=O)NC1CC1

IFT-SAT-023cfffe-1
0.222

View
CC(C)[C@@H]1CN(Cc2cccc(Cl)c2)CCN1C(=O)CCl

DAN-LON-a5fc619e-4
0.222

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAK-UNK-7c9d1431-23
0.222

View
CC1C(OC2CCN(Cc3ccsc3)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-13
0.222

View
CC(=O)N1CCN(Cc2cccs2)C(C2C(O)CCCN2Cc2ccccc2)C1

MAK-UNK-b1d4dcd7-9
0.221

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)C[C@@H]1Cc1ccc(O)cc1

MED-COV-4280ac29-2
0.221

View
O=C(CCl)N1CC[C@H](C(=O)N2CCCCC2)[C@@H](CCc2ccccc2)C1

PAU-WEI-c6d65c11-1
0.221

View
OC[C@H]1CN(CC2=CC=C(CC3=CC=CC=C3)C=C2)CCO1

0.774

View
OC[C@@H]1CN(CC2=CC=C(CC3=CC=CC=C3)C=C2)CCO1

0.774

View
OCC1CN(CC2=CC=C(CC3=CC=CC=C3)C=C2)CCO1

0.774

View
OCC1CN(CC2=CC=C(CN3CCOC(CO)C3)C=C2)CCO1

0.761

View
OC[C@H]1CN(CC2=CC=C(CN3CCO[C@@H](CO)C3)C=C2)CCO1

0.761

View
OC[C@@H]1CN(CC2=CC=C(CN3CCO[C@H](CO)C3)C=C2)CCO1

0.761

View
OCC1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)CCO1

0.709

View
OC[C@H]1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)CCO1

0.709

View
OC[C@@H]1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)CCO1

0.709

View
OCC1=CC=C(CN2CCOC(CO)C2)C=C1

0.686

View
OCC1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.686

View
OCC1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.686

View
OCC1CN(CC2=CC=C(SC3=CC=CC=C3)C=C2)CCO1

0.684

View
OCC1CN(CC2=CN(CC3=CC=CC=C3)N=C2)CCO1

0.683

View
OC[C@H]1CN(CC2=CN(CC3=CC=CC=C3)N=C2)CCO1

0.683

View
OC[C@@H]1CN(CC2=CN(CC3=CC=CC=C3)N=C2)CCO1

0.683

View
OCC1CN(CC2=CC=CC(CN3CCOC(CO)C3)=C2)CCO1

0.673

View
OC[C@H]1CN(CC2=CC=CC(CN3CCO[C@@H](CO)C3)=C2)CCO1

0.673

View
OC[C@@H]1CN(CC2=CC=CC(CN3CCO[C@H](CO)C3)=C2)CCO1

0.673

View
OCC1CN(CC2=CC=C(Cl)C=C2)CCO1

0.673

View
OC[C@H]1CN(CC2=CC=C(Cl)C=C2)CCO1

0.673

View
OC[C@@H]1CN(CC2=CC=C(Cl)C=C2)CCO1

0.673

View
OCC1CN(CC2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1

0.672

View
OC[C@H]1CN(CC2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1

0.672

View
OC[C@@H]1CN(CC2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1

0.672

View
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCOC(CO)C1

0.661

View
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCO[C@@H](CO)C1

0.661

View
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCO[C@H](CO)C1

0.661

View
O=C(C1=CC=CC=C1)C1=CC=C(CN2CCOC(CO)C2)C=C1

0.661

View
O=C(C1=CC=CC=C1)C1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.661

View
O=C(C1=CC=CC=C1)C1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.661

View
OCC1CN(CC2=CC=C(Br)C=C2)CCO1

0.660

View
OC[C@@H]1CN(CC2=CC=C(Br)C=C2)CCO1

0.660

View
OC[C@H]1CN(CC2=CC=C(Br)C=C2)CCO1

0.660

View
OCC1CN(CC2=CC=C(F)C=C2)CCO1

0.660

View
OCC1CN(CC2=CC=C(I)C=C2)CCO1

0.660

View
OCC1CN(CC2=CC=NC=C2)CCO1

0.660

View
OCC1CN(CC2=CC=C(CF)C=C2)CCO1

0.660

View
CCC1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.660

View
OC[C@H]1CN(CC2=CC=C(I)C=C2)CCO1

0.660

View
OC[C@H]1CN(CC2=CC=C(F)C=C2)CCO1

0.660

View
CC1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.660

View
OC[C@@H]1CN(CC2=CC=C(F)C=C2)CCO1

0.660

View
OC[C@@H]1CN(CC2=CC=C(I)C=C2)CCO1

0.660

View
OC[C@@H]1CN(CC2=CC=NC=C2)CCO1

0.660

View
CCC1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.660

View
CC1=CC=C(CN2CCOC(CO)C2)C=C1

0.660

View
CCC1=CC=C(CN2CCOC(CO)C2)C=C1

0.660

View
OC[C@H]1CN(CC2=CC=NC=C2)CCO1

0.660

View
CC1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.660

View
NC1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.660

View
NC1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.660

View
NC1=CC=C(CN2CCOC(CO)C2)C=C1

0.660

View
OCC1CN(CC2CN(CC3=CC=CC=C3)CCCO2)CCO1

0.656

View
OC[C@H]1CN(CC2CN(CC3=CC=CC=C3)CCCO2)CCO1

0.656

View
OC[C@@H]1CN(CC2CN(CC3=CC=CC=C3)CCCO2)CCO1

0.656

View
OCC1CN(CC2=CC=C(CN3CCOCC3)C=C2)CCO1

0.648

View
OC[C@H]1CN(CC2=CC=C(CN3CCOCC3)C=C2)CCO1

0.648

View
OC[C@@H]1CN(CC2=CC=C(CN3CCOCC3)C=C2)CCO1

0.648

View
CN(C1=CC=CC=C1)C1=CC=C(CN2CCOC(CO)C2)C=C1

0.639

View
CN(C1=CC=CC=C1)C1=CC=C(CN2CCO[C@@H](CO)C2)C=C1

0.639

View
CN(C1=CC=CC=C1)C1=CC=C(CN2CCO[C@H](CO)C2)C=C1

0.639

View
OC[C@H]1CN(CC2=CC=CC(Cl)=C2)CCO1

0.632

View
OC[C@@H]1CN(CC2=CC(Cl)=CC=C2)CCO1

0.632

View
OCC1CN(CC2=CC(Cl)=CC=C2)CCO1

0.632

View
OCC1CN(CC2=CC(I)=CC=C2)CCO1

0.632

View
OC[C@H]1CN(CC2=CC(I)=CC=C2)CCO1

0.632

View
OC[C@@H]1CN(CC2=CC(I)=CC=C2)CCO1

0.632

View
CC1=CC=CC(CN2CCO[C@@H](CO)C2)=C1

0.632

View
OCC1CN(CC2=CC=C(CN3CCCCC3)C=C2)CCO1

0.625

View
OC[C@H]1CN(CC2=CC=C(CN3CCCCC3)C=C2)CCO1

0.625

View
OC[C@@H]1CN(CC2=CC=C(CN3CCCCC3)C=C2)CCO1

0.625

View
OCC1CN(CC2=CC=CC(C3=CC=CC=C3)=C2)CCO1

0.623

View
OC[C@H]1CN(CC2=CC=CC(C3=CC=CC=C3)=C2)CCO1

0.623

View
OC[C@@H]1CN(CC2=CC=CC(C3=CC=CC=C3)=C2)CCO1

0.623

View
OCC1CN(CC2=CC=CC=C2CN2CCOC(CO)C2)CCO1

0.615

View
OC[C@H]1CN(CC2=CC=CC=C2CN2CCO[C@@H](CO)C2)CCO1

0.615

View
OC[C@@H]1CN(CC2=CC=CC=C2CN2CCO[C@H](CO)C2)CCO1

0.615

View
OCC1CN(CC2=CC=CC(O)=C2)CCO1

0.614

View
OC[C@H]1CN(CC2=CC=CC(O)=C2)CCO1

0.614

View
OC[C@@H]1CN(CC2=CC=CC(O)=C2)CCO1

0.614

View
NC1=CC=CC(CN2CCOC(CO)C2)=C1

0.603

View
NC1=CC=CC(CN2CCO[C@@H](CO)C2)=C1

0.603

View
NC1=CC=CC(CN2CCO[C@H](CO)C2)=C1

0.603

View
OCC1CN(CC2=CC=CC(F)=C2)CCO1

0.603

View
CCC1=CC=CC(CN2CCOC(CO)C2)=C1

0.603

View
OC[C@H]1CN(CC2=CC=CC(F)=C2)CCO1

0.603

View
CCC1=CC=CC(CN2CCO[C@@H](CO)C2)=C1

0.603

View
OC[C@@H]1CN(CC2=CC=CC(F)=C2)CCO1

0.603

View
CCC1=CC=CC(CN2CCO[C@H](CO)C2)=C1

0.603

View
OCC1CN(CC2=CC=CC(OC3=CC=CC=C3)=C2)CCO1

0.585

View
OC[C@H]1CN(CC2=CC=CC(OC3=CC=CC=C3)=C2)CCO1

0.585

View
OC[C@@H]1CN(CC2=CC=CC(OC3=CC=CC=C3)=C2)CCO1

0.585

View
OCC1CN(CC2=CC=CC(CN3CCOCC3)=C2)CCO1

0.583

View
OC[C@H]1CN(CC2=CC=CC(CN3CCOCC3)=C2)CCO1

0.583

View
OC[C@@H]1CN(CC2=CC=CC(CN3CCOCC3)=C2)CCO1

0.583

View
OCC1=CC=C(CN2CCOC(CC3=CC=CC=C3)C2)C=C1

0.583

View
OCC1CN(CC2=CC=CC(CN3CCCCC3)=C2)CCO1

0.565

View
OC[C@H]1CN(CC2=CC=CC(CN3CCCCC3)=C2)CCO1

0.565

View
OC[C@@H]1CN(CC2=CC=CC(CN3CCCCC3)=C2)CCO1

0.565

View
OCC1CN(Cc2ccccc2)CCO1

1.000

View
OC[C@@H]1CN(Cc2ccccc2)CCO1

1.000

View
OC[C@H]1CN(Cc2ccccc2)CCO1

1.000

View
OCC1CN(Cc2ccccc2)CCCO1

0.712

View
NCC1CN(Cc2ccccc2)CCO1

0.686

View
NC[C@H]1CN(Cc2ccccc2)CCO1 |r|

0.686

View
NC[C@@H]1CN(Cc2ccccc2)CCO1 |r|

0.686

View
NC[C@H]1CN(Cc2ccccc2)CCO1 |&1:2,r|

0.686

View
Cl.Cl.NCC1CN(Cc2ccccc2)CCO1

0.673

View
CNCC1CN(Cc2ccccc2)CCO1

0.636

View
CN(C)CC1CN(Cc2ccccc2)CCO1

0.636

View
CCN(CC)CC1CN(Cc2ccccc2)CCO1

0.603

View
CCNCC1CN(Cc2ccccc2)CCO1

0.603

View
CC1CN(Cc2ccccc2)CCO1

0.566

View
OC(=O)C1CN(Cc2ccccc2)CCO1

0.554

View
OC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 |&1:3,r|

0.554

View
CC(O)C1CN(Cc2ccccc2)CCO1

0.544

View
Cl.OC(=O)C1CN(Cc2ccccc2)CCO1

0.544

View
C[C@@H]1CN(Cc2ccccc2)C[C@H](CO)O1 |r|

0.483

View
CC1CN(Cc2ccccc2)CC(CO)O1

0.483

View
CC1(C)CN(Cc2ccccc2)CC(CO)O1

0.475

View
CC1(C)CN(Cc2ccccc2)C[C@H](CO)O1 |r|

0.475

View
CC1(C)CN(Cc2ccccc2)C[C@@H](CO)O1 |r|

0.475

View
OC1COCCN(Cc2ccccc2)C1

0.475

View
O[C@@H]1COCCN(Cc2ccccc2)C1 |r|

0.475

View
O[C@H]1COCCN(Cc2ccccc2)C1

0.475

View
Cc1ccc(CN2CCOC(CN)C2)cc1

0.443

View
CC1COC(CO)CN1Cc1ccccc1

0.426

View
C[C@H]1CO[C@@H](CO)CN1Cc1ccccc1 |r|

0.426

View
C(N1CC2OC2C1)c1ccccc1

0.407

View
COCC1CN(Cc2ccc(C)c(C)c2)CCO1

0.403

View
CC1CN(Cc2ccccc2)CC(C)O1

0.393

View
CC1(C)CN(Cc2ccccc2)CCO1

0.383

View
Cl.CC1CN(Cc2ccc(C)cc2)CCO1

0.349

View
CC1CN(Cc2cccc(C)c2)CCO1

0.348

View
CC1(C)CN(Cc2ccccc2)CC(C)(C)O1

0.345

View
Cl.CC1CN(Cc2cccc(C)c2)CCO1

0.343

View
CC1CN(Cc2cccc(CN)c2)CCO1

0.319

View
CC(C)c1ccc(cc1)C(C)N1CCOC(CO)C1

0.313

View
C(C1CO1)N(Cc1ccccc1)Cc1ccccc1

0.267

View
CN(CC1CO1)Cc1ccccc1

0.258

View
CC1CN(Cc2cccc(C)c2)CC(C)O1

0.235

View
CC1CN(Cc2ccc(C)cc2)CC(C)O1

0.215

View
CC1CN(Cc2ccc(CN)cc2)CC(C)O1

0.212

View
CNCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 |r|

0.203

View
CC(C)OCCN(CCC(C)(C)O)Cc1ccccc1

0.184

View
COCCN(CC(O)CO)Cc1ccc(C)cc1

0.086

View
N1(CC2=CC=CC=C2)CC(C#N)OCC1

0.564

View
N1(CC2=CC=CC=C2)CCOCCC1

0.397

View
N1(CC2=CC=CC=C2)CC(C)OC(C)C1

0.393

View
C1(OCC)CN(CC2=CC=CC=C2)C1

0.379

View
C1(OCCCN2CCOCC2)CN(CC2=CC=CC=C2)C1

0.377

View
C1(OCCN(C)C)CN(CC2=CC=CC=C2)CC1

0.348

View
C1(OCCC)CN(CC2=CC=CC=C2)C1

0.344

View
C1(OCCOC)CN(CC2=CC=CC=C2)C1

0.333

View
C1(OCCCC)CN(CC2=CC=CC=C2)C1

0.328

View
C1(OCCC#N)CN(CC2=CC=CC=C2)C1

0.323

View
C1(OCCOCC)CN(CC2=CC=CC=C2)C1

0.318

View
C1(OCCCN(C)C)CN(CC2=CC=CC=C2)C1

0.309

View
C1(OCCN(CC)CC)CN(CC2=CC=CC=C2)C1

0.309

View
N(CC1OCCOC1)(CC1=CC=CC=C1)CC

0.271

View
N(CC1OCCOC1)(CC1=CC=CC=C1)C(C)C

0.254

View
N(CC1OCCOC1)(CC1=CC=CC=C1)CCC#N

0.250

View
N(CC1OCCOC1)(CC1=CC=CC=C1)CCCC

0.237

View

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