Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C(CCc3ccccc3)N3CC4CC3CN4C(=O)CCl)cccc12 |
MW: | 492.23 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 68.44 |
cLogP: | 4.04 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-55
0.844
MAK-UNK-ec98eaf6-56
0.802
MAK-UNK-ec98eaf6-8
0.660
PAU-WEI-b9b69149-7
0.641
PAU-WEI-b9b69149-8
0.541
MAK-UNK-ec98eaf6-47
0.514
PAU-WEI-b9b69149-9
0.509
MAK-UNK-ec98eaf6-49
0.476
MAK-UNK-df1a028e-4
0.474
MED-COV-4280ac29-21
0.468
MAK-UNK-ec98eaf6-51
0.450
PAU-WEI-f734c343-1
0.412
DUN-NEW-f8ce3686-21
0.412
DUN-NEW-f8ce3686-24
0.405
MAK-UNK-90d0606b-3
0.400
MAK-UNK-ec98eaf6-41
0.395
MAK-UNK-ec98eaf6-50
0.389
PAT-UNK-b2d83456-4
0.389
MAK-UNK-df1a028e-9
0.388
HAN-NEW-5f56c3bc-4
0.385
DUN-NEW-f8ce3686-11
0.382
JAN-GHE-6413aaf8-5
0.381
MAK-UNK-ec98eaf6-34
0.378
MAK-UNK-ec98eaf6-53
0.370
MAK-UNK-ec98eaf6-33
0.368
DAR-DIA-3e9bbd81-3
0.367
MAK-UNK-5d2caa6f-3
0.365
MAK-UNK-10799360-31
0.365
TAM-UNI-c140e31a-16
0.363
CAL-AMP-9edebd8f-1
0.358
DUN-NEW-f8ce3686-10
0.358
ELE-IMP-dfb36048-2
0.358
NIR-THE-c331be7a-3
0.354
MAK-UNK-ec98eaf6-52
0.347
AHN-SAT-721e3e40-1
0.345
SAN-PRS-3c4a6997-2
0.343
MAK-UNK-3e0761f8-9
0.342
MAK-UNK-3e0761f8-4
0.342
JOK-SYG-b9f02a42-2
0.342
DAR-DIA-caba39e3-6
0.341
DAR-DIA-caba39e3-5
0.341
MAK-UNK-10799360-36
0.340
MAK-UNK-5d2caa6f-4
0.339
NAU-LAT-81109c57-5
0.339
DAR-DIA-3e9bbd81-7
0.339
DAR-DIA-3e9bbd81-5
0.339
JOK-SYG-b9f02a42-1
0.336
DAR-DIA-caba39e3-4
0.333
MAK-UNK-5d2caa6f-5
0.333
JOK-SYG-b9f02a42-3
0.328
NIR-THE-0d6461ce-2
0.328
MAK-UNK-5d2caa6f-24
0.325
ROB-UNI-b2e39629-6
0.324
JOK-SYG-302da050-1
0.322
NAU-LAT-f723e322-1
0.322
DAR-DIA-fb20be43-11
0.322
STU-CHA-bc0a9883-1
0.322
MAK-UNK-ec98eaf6-1
0.322
JOK-SYG-b7365cd7-1
0.321
MAK-UNK-ec98eaf6-11
0.319
MAK-UNK-ec98eaf6-6
0.319
MAK-UNK-ec98eaf6-9
0.319
DAR-DIA-3e9bbd81-6
0.317
ROB-UNI-b2e39629-7
0.315
NIR-THE-0d6461ce-3
0.314
NAU-LAT-81109c57-3
0.314
MAK-UNK-90d0606b-1
0.313
TAM-UNI-c140e31a-22
0.312
MAK-UNK-10799360-26
0.312
MAK-UNK-ec98eaf6-7
0.311
NAU-LAT-81109c57-6
0.311
DAR-DIA-fb20be43-15
0.311
MAK-UNK-be5ffcbc-5
0.311
MAK-UNK-ec98eaf6-15
0.310
GAB-REV-4a4e2ff3-1
0.310
MAK-UNK-3f402c2b-3
0.308
MAK-UNK-10799360-32
0.308
ANT-DIA-b7f58f21-4
0.308
PEI-IMP-e4a008a2-1
0.305
DAR-DIA-fb20be43-14
0.303
GAB-REV-4a4e2ff3-8
0.303
JOH-MSK-2d8052dc-1
0.302
SAM-UNK-903735bd-1
0.299
MAK-UNK-be5ffcbc-9
0.299
MAK-UNK-ec98eaf6-19
0.297
MAK-UNK-af83ef51-2
0.295
MAK-UNK-10799360-35
0.295
MAK-UNK-3f402c2b-14
0.295
JOH-MSK-d60b0211-1
0.294
MAK-UNK-ec98eaf6-2
0.294
PAT-UNK-b2d83456-5
0.294
GAB-REV-4a4e2ff3-14
0.293
SAN-PRS-3c4a6997-1
0.292
AAR-POS-d2a4d1df-2
0.292
NAU-LAT-30527ac5-4
0.292
MAK-UNK-be5ffcbc-4
0.291
GAB-REV-4a4e2ff3-3
0.290
JAN-GHE-6413aaf8-8
0.289
MAK-UNK-3f402c2b-7
0.288
ASH-UNK-40b46b30-5
0.288