Molecular Properties | |
SMILES: | CCNc1ccc(Cl)cc1CN1CCN(C(C)=O)CC1 |
MW: | 295.814 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 35.58 |
cLogP: | 2.4359 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
KIM-UNI-7d12df64-3
0.707
JAN-GHE-fd8d85a5-10
0.645
KIM-UNI-7d12df64-2
0.615
JAN-GHE-fd8d85a5-9
0.597
DAR-DIA-fb20be43-3
0.486
SEL-UNI-cd366922-6
0.451
JAN-GHE-fd8d85a5-3
0.427
JAN-GHE-fd8d85a5-8
0.427
JAN-GHE-fd8d85a5-1
0.425
CAM-STU-3ef21e73-1
0.394
KIM-UNI-2ee5d8f9-1
0.394
BEN-VAN-d8fd1356-20
0.385
TAM-UNI-d1c3dd9f-18
0.380
MED-COV-4280ac29-37
0.372
WIL-LEE-23e8b574-2
0.371
MAK-UNK-6435e6c2-3
0.369
JAN-GHE-fd8d85a5-6
0.354
STU-CHA-6d5cfe2b-1
0.352
WIL-LEE-23e8b574-4
0.352
STU-CHA-128b80be-2
0.348
PAT-UNK-b2d83456-3
0.347
BEN-VAN-d8fd1356-21
0.346
STU-CHA-6cae54d3-1
0.345
MAK-UNK-6435e6c2-2
0.343
HYO-UNK-50298ba0-1
0.342
JAN-GHE-fd8d85a5-7
0.338
HEI-REL-0c990a45-4
0.337
BEN-VAN-c986b20b-13
0.337
BRU-LEF-ae0885ba-1
0.333
PAU-UNI-52c0427f-1
0.333
DAR-DIA-fb20be43-4
0.333
STU-CHA-128b80be-1
0.333
DAV-CRI-d1e0885a-2
0.333
PAT-UNK-b2d83456-4
0.329
BEN-VAN-c986b20b-10
0.329
DAR-DIA-fb20be43-1
0.329
JOH-UNI-23d9e1b1-1
0.329
PAT-UNK-b2d83456-1
0.329
STU-CHA-5350f95a-1
0.326
JAN-GHE-fd8d85a5-2
0.326
DAR-DIA-fb20be43-5
0.325
MED-COV-4280ac29-24
0.325
BEN-DND-6de5dfa0-19
0.325
WIL-LEE-23e8b574-3
0.325
MAK-UNK-af83ef51-27
0.323
BEN-VAN-d8fd1356-24
0.321
PAT-UNK-b2d83456-2
0.320
STU-CHA-7b3b91d5-1
0.319
BEN-VAN-c986b20b-5
0.318
MAK-UNK-7c9d1431-20
0.315
JAN-GHE-fd8d85a5-12
0.315
BEN-VAN-c986b20b-3
0.313
JAN-GHE-1d98ec1c-1
0.312
JOO-PER-58e158bd-1
0.310
JAN-GHE-1d98ec1c-2
0.308
CHR-UNK-e061132b-1
0.307
CHR-UNK-b46452fc-1
0.307
VIC-UNI-33d4332f-2
0.306
JAN-GHE-1d98ec1c-4
0.305
DAR-DIA-fb20be43-8
0.305
PAU-UNI-19862c28-1
0.305
MAK-UNK-7c9d1431-29
0.304
BEN-VAN-c986b20b-7
0.303
BEN-VAN-c986b20b-4
0.302
TAM-UNI-d1c3dd9f-13
0.302
MAK-UNK-10dfa458-19
0.302
JOH-UNI-0e1753c1-2
0.301
HYO-UNK-49a60884-1
0.301
MED-COV-4280ac29-15
0.301
JOH-UNI-0e1753c1-3
0.301
AAR-POS-d2a4d1df-35
0.301
STE-UNK-13e151dd-1
0.301
JUL-TUD-06b2044f-29
0.301
MAT-POS-4e253971-2
0.301
JOH-MSK-d60b0211-1
0.300
JAN-GHE-1d98ec1c-8
0.300
SAD-SAT-1f400d17-6
0.300
ASH-SAT-43770c7d-4
0.300
PAT-UNK-b2d83456-5
0.300
BEN-VAN-c986b20b-17
0.298
JON-UIO-066ce08b-10
0.298
BEN-VAN-c986b20b-2
0.298
BEN-VAN-c986b20b-16
0.298
JUL-TUD-06b2044f-136
0.298
JUL-TUD-06b2044f-30
0.298
JUL-TUD-06b2044f-74
0.296
JON-UIO-066ce08b-11
0.295
ISA-SCH-8e98219b-3
0.295
JOH-UNI-0e1753c1-1
0.295
BEN-DND-93268d01-8
0.295
EDJ-MED-3c65e9ce-1
0.295
VLA-UCB-05e51b3f-3
0.295
BEN-VAN-c986b20b-15
0.294
DAR-DIA-fb20be43-15
0.293
MAK-UNK-6ca90168-13
0.293
NEH-REV-107bcf72-5
0.293
MAK-UNK-af83ef51-22
0.292
BEN-VAN-d8fd1356-23
0.291
JAN-GHE-1d98ec1c-3
0.289
BEN-VAN-c986b20b-6
0.289