Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CN3CC4CC3CN4C(=O)CCl)cccc12 |
MW: | 388.17 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 68.44 |
cLogP: | 1.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DUN-NEW-f8ce3686-21
0.585
DUN-NEW-f8ce3686-24
0.578
DUN-NEW-f8ce3686-11
0.551
PAT-UNK-b2d83456-4
0.545
JAN-GHE-6413aaf8-5
0.527
MAK-UNK-ec98eaf6-8
0.524
MAK-UNK-ec98eaf6-54
0.514
MAK-UNK-ec98eaf6-55
0.509
HAN-NEW-5f56c3bc-4
0.505
DUN-NEW-f8ce3686-10
0.494
ELE-IMP-dfb36048-2
0.494
CAL-AMP-9edebd8f-1
0.494
MAK-UNK-ec98eaf6-56
0.487
MAK-UNK-3f402c2b-14
0.472
MAK-UNK-bae89c02-4
0.446
MAK-UNK-10799360-4
0.446
MAK-UNK-ec98eaf6-33
0.446
MAK-UNK-df1a028e-1
0.422
PAU-WEI-b9b69149-7
0.422
DAR-DIA-3e9bbd81-4
0.420
MED-COV-4280ac29-21
0.419
MAK-UNK-bae89c02-3
0.418
JAN-GHE-6413aaf8-4
0.418
DAR-DIA-3e9bbd81-1
0.417
MAK-UNK-3f402c2b-3
0.416
PAU-WEI-b9b69149-8
0.414
MAK-UNK-ec98eaf6-21
0.414
JAN-GHE-6413aaf8-2
0.413
MAK-UNK-ec98eaf6-17
0.412
MAK-UNK-10799360-6
0.412
MAK-UNK-10799360-20
0.412
MAK-UNK-3f402c2b-26
0.409
MAK-UNK-10799360-21
0.406
DAN-LON-a5fc619e-8
0.404
MAK-UNK-ec98eaf6-24
0.404
MAK-UNK-10799360-22
0.404
JAN-GHE-6413aaf8-3
0.404
JAN-GHE-6413aaf8-7
0.402
JAN-GHE-6413aaf8-1
0.402
MAK-UNK-ec98eaf6-34
0.402
TAM-UNI-c140e31a-16
0.400
JAN-GHE-6413aaf8-6
0.400
PAU-WEI-b9b69149-9
0.400
PAU-WEI-f734c343-1
0.400
MAK-UNK-ec98eaf6-28
0.398
JAN-GHE-6413aaf8-8
0.398
NIR-THE-0d6461ce-2
0.398
MAK-UNK-ec98eaf6-41
0.395
MAK-UNK-5d2caa6f-7
0.394
DAR-DIA-fb20be43-15
0.392
NAU-LAT-f723e322-1
0.392
STU-CHA-bc0a9883-1
0.392
JOK-SYG-302da050-1
0.392
DAR-DIA-fb20be43-11
0.392
MAK-UNK-df1a028e-8
0.391
DAR-DIA-3e9bbd81-8
0.390
JOK-SYG-b9f02a42-2
0.387
DAR-DIA-3e9bbd81-2
0.386
NIR-THE-c331be7a-3
0.386
DAR-DIA-caba39e3-5
0.384
MAK-UNK-3f402c2b-22
0.382
MAK-UNK-ec98eaf6-22
0.380
MAK-UNK-5d2caa6f-6
0.380
MAK-UNK-3f402c2b-16
0.378
MAK-UNK-3e0761f8-10
0.374
MAK-UNK-10799360-31
0.374
MAK-UNK-be5ffcbc-2
0.374
MAK-UNK-3f402c2b-21
0.374
MAK-UNK-df1a028e-6
0.374
MAK-UNK-ec98eaf6-10
0.373
MAK-UNK-ec98eaf6-23
0.373
DAR-DIA-caba39e3-6
0.372
JOK-SYG-b9f02a42-3
0.370
MAK-UNK-90d0606b-1
0.370
JOK-SYG-b9f02a42-1
0.368
DAR-DIA-fb20be43-14
0.368
ELE-IMP-dfb36048-5
0.368
SAM-UNK-903735bd-1
0.366
MAK-UNK-ec98eaf6-16
0.366
DAR-DIA-3e9bbd81-10
0.365
MAK-UNK-10799360-19
0.364
MAK-UNK-90d0606b-7
0.364
MAK-UNK-10799360-12
0.364
MAK-UNK-ec98eaf6-19
0.363
DAR-DIA-caba39e3-4
0.362
MAK-UNK-ec98eaf6-14
0.361
ROB-UNI-b2e39629-4
0.361
BEN-DND-362d364a-8
0.361
MAK-UNK-10799360-10
0.360
MAK-UNK-10799360-8
0.360
MAK-UNK-ec98eaf6-2
0.359
MAK-UNK-5d2caa6f-23
0.357
MAK-UNK-be5ffcbc-4
0.356
NAU-LAT-81109c57-6
0.352
MAK-UNK-ec98eaf6-7
0.352
SAN-PRS-3c4a6997-2
0.352
SAD-SAT-581007d4-9
0.351
MAK-UNK-ec98eaf6-25
0.351
MAK-UNK-ec98eaf6-11
0.350
SIM-DEM-265738e1-1
0.347