Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CNc3ccc4c(c3)C(=O)NC4)cc(F)cc12 |
MW: | 380.423 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 86.02 |
cLogP: | 2.8411 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-10
0.622
GAB-REV-4a4e2ff3-15
0.515
NAU-LAT-81109c57-7
0.481
TAM-UNI-c140e31a-2
0.480
WIL-LEE-1f71e281-6
0.467
TAM-UNI-c140e31a-15
0.462
SAM-UNK-903735bd-2
0.462
ELE-IMP-dfb36048-1
0.462
PET-SGC-f818f65b-1
0.462
SIM-DEM-265738e1-1
0.462
NAU-LAT-f723e322-1
0.460
JOK-SYG-302da050-1
0.460
DAR-DIA-fb20be43-11
0.460
STU-CHA-bc0a9883-1
0.460
MAK-UNK-be5ffcbc-2
0.458
MAK-UNK-be5ffcbc-4
0.454
NIR-THE-0d6461ce-2
0.451
SAM-UNK-903735bd-1
0.449
GAB-REV-4a4e2ff3-3
0.442
GAB-REV-4a4e2ff3-8
0.436
ASH-UNK-40b46b30-5
0.434
PET-SGC-1c3a473d-1
0.434
MAK-UNK-be5ffcbc-9
0.433
NAU-LAT-f723e322-2
0.427
GAB-REV-4a4e2ff3-1
0.422
NAU-LAT-81109c57-6
0.417
MAK-UNK-ec98eaf6-33
0.415
GAB-REV-4a4e2ff3-14
0.414
MAK-UNK-be5ffcbc-6
0.404
GAB-REV-4a4e2ff3-6
0.402
GAB-REV-4a4e2ff3-13
0.398
GAB-REV-4a4e2ff3-21
0.398
NAU-LAT-81109c57-5
0.398
GAB-REV-4a4e2ff3-11
0.393
NIR-THE-0d6461ce-3
0.393
LON-WEI-af038623-6
0.392
GAB-REV-4a4e2ff3-5
0.382
JOK-SYG-b7365cd7-1
0.380
ASH-UNK-40b46b30-7
0.380
TAM-UNI-c140e31a-3
0.378
MAK-UNK-10572812-12
0.378
WAR-XCH-e55cba98-2
0.377
GAB-REV-4a4e2ff3-16
0.377
TAM-UNI-c140e31a-22
0.374
WAR-XCH-e55cba98-3
0.368
NAU-LAT-81109c57-3
0.368
AAR-POS-d2a4d1df-2
0.366
MAK-UNK-be5ffcbc-5
0.364
GAB-REV-4a4e2ff3-19
0.360
DAR-DIA-caba39e3-6
0.359
GAB-REV-4a4e2ff3-18
0.354
GAB-REV-4a4e2ff3-20
0.353
DAR-DIA-fb20be43-15
0.352
MAK-UNK-ec98eaf6-34
0.351
GAB-REV-4a4e2ff3-7
0.350
JOK-SYG-b9f02a42-2
0.348
PAT-UNK-b2d83456-4
0.346
PAT-UNK-b2d83456-5
0.346
JOH-MSK-d60b0211-1
0.346
GAB-REV-4a4e2ff3-2
0.345
GAB-REV-4a4e2ff3-9
0.345
WAR-XCH-e55cba98-5
0.345
JOK-SYG-b9f02a42-1
0.342
DAR-DIA-fb20be43-14
0.342
GAB-REV-4a4e2ff3-12
0.342
DUN-NEW-f8ce3686-21
0.340
DUN-NEW-f8ce3686-24
0.339
HAN-NEW-5f56c3bc-2
0.337
GAB-REV-4a4e2ff3-17
0.336
BEN-DND-362d364a-8
0.333
ROB-UNI-b2e39629-4
0.333
JOK-SYG-b9f02a42-3
0.333
ORN-MSD-5b974918-1
0.330
DUN-NEW-f8ce3686-11
0.327
DUN-NEW-f8ce3686-10
0.327
CAL-AMP-9edebd8f-1
0.327
ELE-IMP-dfb36048-2
0.327
SAN-PRS-3c4a6997-1
0.323
NAU-LAT-30527ac5-5
0.322
NAU-LAT-0543f7f2-3
0.322
ROB-UNI-b2e39629-6
0.317
JAN-GHE-6413aaf8-5
0.315
JOH-MSK-a63bdd1d-4
0.312
MAR-UCB-195bc32d-16
0.312
SCO-VAN-260d9628-6
0.312
SCO-VAN-260d9628-7
0.311
SAN-PRS-3c4a6997-2
0.309
SCO-VAN-260d9628-8
0.308
NAU-LAT-30527ac5-6
0.308
FRA-DIA-8640f307-1
0.308
ROB-UNI-b2e39629-7
0.308
MAK-UNK-10799360-31
0.306
NAU-LAT-30527ac5-4
0.306
JAR-IMP-ed466bb3-19
0.304
MAK-UNK-ec98eaf6-41
0.304
MAR-UCB-195bc32d-21
0.303
ALE-ACE-2610ee4d-1
0.303
JOH-MSK-35a8745a-1
0.303
MAK-UNK-516d8086-18
0.300
MAT-GIT-deadff56-1
0.300