Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c([C@]34CC(c5ccccc53)N(C(=O)CCl)C4)cc(Cl)cc12 |
MW: | 455.12 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.2 |
cLogP: | 4.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-41
0.610
DAR-DIA-caba39e3-5
0.447
MAK-UNK-3f402c2b-23
0.438
MAK-UNK-ec98eaf6-42
0.431
MAK-UNK-10799360-18
0.429
DAR-DIA-fb20be43-15
0.407
MAK-UNK-ec98eaf6-39
0.404
MAK-UNK-ec98eaf6-27
0.391
ROB-UNI-b2e39629-6
0.390
MAK-UNK-ec98eaf6-40
0.389
DAR-DIA-caba39e3-6
0.387
WAR-XCH-e55cba98-3
0.385
NAU-LAT-81109c57-6
0.382
BEN-DND-362d364a-8
0.379
ROB-UNI-b2e39629-4
0.379
NIR-THE-c331be7a-3
0.377
NIR-THE-0d6461ce-2
0.375
MAK-UNK-ec98eaf6-47
0.374
MED-COV-4280ac29-21
0.371
WAR-XCH-e55cba98-2
0.370
DAR-DIA-fb20be43-11
0.369
STU-CHA-bc0a9883-1
0.369
NAU-LAT-f723e322-1
0.369
JOK-SYG-302da050-1
0.369
MAK-UNK-ec98eaf6-8
0.369
MAK-UNK-ec98eaf6-33
0.368
DAR-DIA-caba39e3-4
0.366
MAK-UNK-ec98eaf6-54
0.365
NIR-THE-0d6461ce-3
0.360
SAN-PRS-3c4a6997-1
0.357
DUN-NEW-f8ce3686-24
0.357
GAB-REV-4a4e2ff3-15
0.357
MAK-UNK-ec98eaf6-34
0.356
NAU-LAT-30527ac5-4
0.355
PAU-WEI-b9b69149-7
0.352
HAN-NEW-5f56c3bc-4
0.352
NAU-LAT-81109c57-5
0.351
NAU-LAT-0543f7f2-3
0.350
NAU-LAT-30527ac5-5
0.350
JOK-SYG-b9f02a42-1
0.348
NAU-LAT-30527ac5-6
0.347
DUN-NEW-f8ce3686-21
0.346
GAB-REV-4a4e2ff3-3
0.345
MAK-UNK-ec98eaf6-55
0.341
GAB-REV-4a4e2ff3-8
0.336
DAR-DIA-fb20be43-14
0.336
PAU-WEI-b9b69149-8
0.336
JOH-MSK-2d8052dc-1
0.333
SAM-UNK-903735bd-1
0.333
JOK-SYG-b9f02a42-2
0.331
MAK-UNK-be5ffcbc-6
0.330
MAK-UNK-ec98eaf6-56
0.328
WAR-XCH-e55cba98-5
0.328
JOK-SYG-b9f02a42-3
0.328
MAK-UNK-be5ffcbc-2
0.327
PAT-UNK-b2d83456-4
0.327
SIM-DEM-265738e1-1
0.327
PET-SGC-f818f65b-1
0.327
TAM-UNI-c140e31a-15
0.327
SAM-UNK-903735bd-2
0.327
ELE-IMP-dfb36048-1
0.327
TAM-UNI-c140e31a-2
0.325
NAU-LAT-81109c57-3
0.325
MAK-UNK-be5ffcbc-4
0.324
MAK-UNK-be5ffcbc-9
0.324
PAU-WEI-f734c343-1
0.323
MAK-UNK-be5ffcbc-5
0.322
DUN-NEW-f8ce3686-11
0.321
JOK-SYG-b7365cd7-1
0.321
ELE-IMP-dfb36048-2
0.321
DUN-NEW-f8ce3686-10
0.321
CAL-AMP-9edebd8f-1
0.321
WIL-LEE-1f71e281-6
0.318
PAU-WEI-b9b69149-9
0.315
GAB-REV-4a4e2ff3-14
0.315
NAU-LAT-81109c57-7
0.311
JAN-GHE-6413aaf8-5
0.310
ASH-UNK-40b46b30-5
0.310
GAB-REV-4a4e2ff3-13
0.308
GAB-REV-4a4e2ff3-19
0.308
MAK-UNK-10572812-12
0.308
NAU-LAT-f723e322-2
0.308
GAB-REV-4a4e2ff3-4
0.306
PET-SGC-1c3a473d-1
0.306
HAN-NEW-5f56c3bc-2
0.306
TAM-UNI-c140e31a-16
0.304
JOH-MSK-d60b0211-1
0.304
PAT-UNK-b2d83456-5
0.304
GAB-REV-4a4e2ff3-21
0.304
GAB-REV-4a4e2ff3-16
0.304
AAR-POS-d2a4d1df-2
0.304
SAN-PRS-3c4a6997-2
0.303
ROB-UNI-b2e39629-7
0.303
GAB-REV-4a4e2ff3-10
0.299
GAB-REV-4a4e2ff3-1
0.298
LON-WEI-af038623-6
0.298
GAB-REV-4a4e2ff3-2
0.296
JOH-MSK-a63bdd1d-4
0.294
MAR-UCB-195bc32d-16
0.294
GAB-REV-4a4e2ff3-18
0.293