Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(Cl)cc1CN1CCN(C(C)=O)CC1 |
MW: | 309.797 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 52.65 |
cLogP: | 1.9625 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
KIM-UNI-7d12df64-1
0.707
TAM-UNI-d1c3dd9f-18
0.493
JAN-GHE-fd8d85a5-10
0.478
KIM-UNI-7d12df64-2
0.457
JAN-GHE-fd8d85a5-9
0.444
JAN-GHE-fd8d85a5-8
0.444
JAN-GHE-fd8d85a5-3
0.425
KIM-UNI-2ee5d8f9-1
0.413
WIL-LEE-23e8b574-2
0.409
MED-COV-4280ac29-37
0.405
MAK-UNK-6435e6c2-3
0.387
BEN-VAN-d8fd1356-20
0.382
PAT-UNK-b2d83456-3
0.380
WIL-LEE-23e8b574-4
0.368
JAN-GHE-fd8d85a5-1
0.365
STU-CHA-128b80be-2
0.360
MAK-UNK-6435e6c2-2
0.359
STU-CHA-6cae54d3-1
0.357
WIL-LEE-23e8b574-3
0.356
HYO-UNK-50298ba0-1
0.355
DAR-DIA-fb20be43-3
0.354
STU-CHA-5350f95a-1
0.352
BEN-VAN-c986b20b-13
0.349
STU-CHA-6d5cfe2b-1
0.349
PAT-UNK-b2d83456-1
0.343
JOH-UNI-23d9e1b1-1
0.343
ISA-SCH-8e98219b-3
0.342
BEN-VAN-d8fd1356-21
0.342
BEN-VAN-c986b20b-2
0.342
PAT-UNK-b2d83456-4
0.341
BEN-DND-6de5dfa0-19
0.338
JAN-GHE-fd8d85a5-2
0.337
PAT-UNK-b2d83456-2
0.333
SAD-SAT-1f400d17-6
0.333
BEN-VAN-d8fd1356-24
0.333
HEI-REL-0c990a45-4
0.333
JOH-UNI-0e1753c1-2
0.333
SEL-UNI-cd366922-6
0.333
VIC-UNI-33d4332f-2
0.333
STU-CHA-7b3b91d5-1
0.330
STU-CHA-128b80be-1
0.330
VIC-UNI-33d4332f-1
0.329
BEN-VAN-c986b20b-4
0.329
MAT-POS-4e253971-2
0.329
JAN-GHE-1d98ec1c-8
0.329
MIH-UNI-e573136b-5
0.329
MAK-UNK-7c9d1431-20
0.329
PAT-UNK-b2d83456-5
0.326
JOH-MSK-d60b0211-1
0.326
JAN-GHE-fd8d85a5-12
0.326
ANU-UNK-2781581f-2
0.325
BEN-VAN-c986b20b-10
0.325
BEN-VAN-c986b20b-16
0.325
BEN-VAN-c986b20b-3
0.325
BEN-VAN-c986b20b-17
0.325
MAK-UNK-6ca90168-13
0.324
JAN-GHE-1d98ec1c-2
0.320
ISA-SCH-8e98219b-2
0.319
DAR-DIA-fb20be43-15
0.318
MAK-UNK-7c9d1431-29
0.318
DAR-DIA-fb20be43-8
0.316
PAU-UNI-19862c28-1
0.316
JOH-UNI-0e1753c1-3
0.314
HYO-UNK-49a60884-1
0.314
MED-COV-4280ac29-15
0.314
AAR-POS-d2a4d1df-35
0.314
BEN-VAN-c986b20b-5
0.313
TAM-UNI-d1c3dd9f-13
0.313
STE-UNK-13e151dd-1
0.312
JUL-TUD-06b2044f-29
0.312
ASH-SAT-43770c7d-4
0.312
JUL-TUD-06b2044f-136
0.309
JUL-TUD-06b2044f-30
0.309
JAN-GHE-1d98ec1c-1
0.308
EDJ-MED-3c65e9ce-1
0.307
JOH-UNI-0e1753c1-1
0.307
BEN-DND-93268d01-8
0.307
SAD-SAT-581007d4-8
0.306
NEH-REV-107bcf72-5
0.306
JUL-TUD-06b2044f-74
0.305
JOO-PER-58e158bd-1
0.305
BEN-VAN-c986b20b-15
0.305
DRR-IMP-38dce17f-8
0.304
CHR-UNK-e061132b-1
0.302
CHR-UNK-b46452fc-1
0.302
BEN-DND-6de5dfa0-23
0.301
JAN-GHE-fd8d85a5-6
0.301
EDJ-MED-3c65e9ce-2
0.300
JAN-GHE-1d98ec1c-3
0.300
JAN-GHE-1d98ec1c-4
0.300
SAD-SAT-bc31ec01-1
0.300
HEI-REL-0c990a45-5
0.298
JUL-TUD-06b2044f-119
0.298
JAN-GHE-1d98ec1c-5
0.296
TAM-UNI-d1c3dd9f-20
0.295
SAD-SAT-7d5528d9-6
0.295
JOH-UNK-14e6adc5-7
0.295
PAU-UNI-8cdd41c7-1
0.294
BEN-DND-6de5dfa0-24
0.293
BEN-DND-6de5dfa0-26
0.293