Molecular Properties | |
SMILES: | CC(=O)NCCc1c2cc(F)cc(C(CN(Cc3cc(C)on3)C(=O)NC3CC3)c3nnc(C)s3)c2[nH]c1 |
MW: | 539.21 |
Fraction sp3: | 0.42 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 129.04 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
FRA-DIA-8640f307-3
0.830
FRA-DIA-8640f307-2
0.822
MAK-UNK-be5ffcbc-5
0.414
JOK-SYG-b7365cd7-1
0.405
ASH-UNK-40b46b30-5
0.404
TAM-UNI-c140e31a-22
0.375
MAK-UNK-be5ffcbc-9
0.374
WIL-LEE-1f71e281-6
0.366
NIR-THE-0d6461ce-3
0.358
SAM-UNK-903735bd-1
0.356
MAK-UNK-be5ffcbc-6
0.353
MAK-UNK-be5ffcbc-2
0.350
NIR-THE-0d6461ce-2
0.350
WAR-XCH-e55cba98-5
0.348
NAU-LAT-81109c57-6
0.344
MAK-UNK-ec98eaf6-33
0.344
PET-SGC-f818f65b-1
0.339
ELE-IMP-dfb36048-1
0.339
SIM-DEM-265738e1-1
0.339
SAM-UNK-903735bd-2
0.339
TAM-UNI-c140e31a-15
0.339
NAU-LAT-81109c57-5
0.339
GAB-REV-4a4e2ff3-9
0.338
MAK-UNK-be5ffcbc-4
0.336
ASH-UNK-40b46b30-7
0.336
TAM-UNI-c140e31a-3
0.336
LON-WEI-af038623-6
0.333
IFT-SAT-023cfffe-2
0.333
GAB-REV-4a4e2ff3-19
0.331
WAR-XCH-e55cba98-3
0.328
ROB-UNI-b2e39629-7
0.328
NAU-LAT-81109c57-3
0.325
TAM-UNI-c140e31a-2
0.325
GAB-REV-4a4e2ff3-7
0.323
FRA-DIA-3f9ae552-2
0.323
MAK-UNK-ec98eaf6-34
0.323
DAR-DIA-fb20be43-11
0.323
JOK-SYG-302da050-1
0.323
NAU-LAT-f723e322-1
0.323
STU-CHA-bc0a9883-1
0.323
AAR-POS-d2a4d1df-9
0.321
AAR-POS-d2a4d1df-2
0.318
GAB-REV-4a4e2ff3-2
0.318
GAB-REV-4a4e2ff3-5
0.318
PET-SGC-1c3a473d-1
0.318
GAB-REV-4a4e2ff3-21
0.317
GAB-REV-4a4e2ff3-14
0.317
WAR-XCH-e55cba98-2
0.316
GAB-REV-4a4e2ff3-18
0.315
GAB-REV-4a4e2ff3-8
0.315
ROB-UNI-b2e39629-6
0.313
NAU-LAT-81109c57-7
0.313
GAB-REV-4a4e2ff3-3
0.312
DAR-DIA-caba39e3-6
0.311
GAB-REV-4a4e2ff3-17
0.311
NAU-LAT-f723e322-2
0.310
MAK-UNK-10572812-12
0.309
GAB-REV-4a4e2ff3-6
0.309
GAB-REV-4a4e2ff3-4
0.308
FRA-DIA-3f9ae552-3
0.307
GAB-REV-4a4e2ff3-16
0.306
GAB-REV-4a4e2ff3-15
0.302
GAB-REV-4a4e2ff3-1
0.301
GAB-REV-4a4e2ff3-13
0.300
TRY-UNI-9f475305-7
0.298
SCO-VAN-260d9628-7
0.298
GAB-REV-4a4e2ff3-12
0.297
GAB-REV-4a4e2ff3-20
0.296
SAN-PRS-3c4a6997-1
0.295
FRA-DIA-3f9ae552-1
0.292
JOH-CHE-3504ac3d-2
0.291
JOK-SYG-b9f02a42-2
0.290
TRY-UNI-9f475305-6
0.289
GAB-REV-4a4e2ff3-11
0.289
JOK-SYG-b9f02a42-3
0.288
DUN-NEW-f8ce3686-12
0.287
JOH-MSK-a63bdd1d-1
0.287
JOH-MEM-4bb7e4cc-1
0.287
MAT-GIT-deadff56-1
0.287
JOH-MSK-a63bdd1d-4
0.286
TRY-UNI-9f475305-8
0.286
JOH-MSK-d60b0211-1
0.286
HAN-NEW-5f56c3bc-2
0.286
PAT-UNK-b2d83456-5
0.286
MAR-UCB-195bc32d-16
0.286
PAU-WEI-f734c343-1
0.285
JOH-MSK-a63bdd1d-6
0.285
PAU-WEI-b9b69149-7
0.283
GAB-REV-4a4e2ff3-10
0.283
DAR-DIA-37454fd7-1
0.282
MAR-TRE-c317dd82-56
0.280
DUN-NEW-f8ce3686-11
0.280
PAU-WEI-b9b69149-9
0.280
PAU-WEI-b9b69149-8
0.279
ALE-ACE-2610ee4d-1
0.278
MAR-UCB-195bc32d-21
0.278
JOH-MSK-35a8745a-1
0.278
SIM-SYN-7db9eb24-2
0.278
NAU-LAT-81109c57-1
0.277
DAR-DIA-37454fd7-3
0.277