Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(Cc3cccc(-c4ccn[nH]4)c3)cc(F)cc12 |
MW: | 376.435 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 73.57 |
cLogP: | 3.9665 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-5
0.624
GAB-REV-4a4e2ff3-8
0.565
ASH-UNK-40b46b30-5
0.533
GAB-REV-4a4e2ff3-3
0.505
WIL-LEE-1f71e281-6
0.489
ELE-IMP-dfb36048-1
0.484
SIM-DEM-265738e1-1
0.484
TAM-UNI-c140e31a-15
0.484
SAM-UNK-903735bd-2
0.484
PET-SGC-f818f65b-1
0.484
TAM-UNI-c140e31a-2
0.469
MAK-UNK-be5ffcbc-4
0.458
MAK-UNK-be5ffcbc-2
0.448
GAB-REV-4a4e2ff3-15
0.447
NAU-LAT-81109c57-7
0.443
NIR-THE-0d6461ce-2
0.441
SAM-UNK-903735bd-1
0.439
MAK-UNK-be5ffcbc-9
0.438
PET-SGC-1c3a473d-1
0.438
NAU-LAT-f723e322-1
0.436
JOK-SYG-302da050-1
0.436
DAR-DIA-fb20be43-11
0.436
STU-CHA-bc0a9883-1
0.436
NAU-LAT-f723e322-2
0.431
NAU-LAT-81109c57-5
0.430
GAB-REV-4a4e2ff3-4
0.422
MAK-UNK-ec98eaf6-33
0.419
GAB-REV-4a4e2ff3-21
0.416
ASH-UNK-40b46b30-7
0.410
GAB-REV-4a4e2ff3-14
0.404
NAU-LAT-81109c57-3
0.398
GAB-REV-4a4e2ff3-11
0.396
TAM-UNI-c140e31a-3
0.394
GAB-REV-4a4e2ff3-18
0.394
GAB-REV-4a4e2ff3-13
0.389
GAB-REV-4a4e2ff3-17
0.386
WAR-XCH-e55cba98-3
0.384
GAB-REV-4a4e2ff3-9
0.384
JOK-SYG-b7365cd7-1
0.384
LON-WEI-af038623-6
0.382
HAN-NEW-5f56c3bc-2
0.381
GAB-REV-4a4e2ff3-16
0.381
WAR-XCH-e55cba98-2
0.381
GAB-REV-4a4e2ff3-20
0.381
SCO-VAN-260d9628-7
0.380
MAK-UNK-be5ffcbc-6
0.380
GAB-REV-4a4e2ff3-6
0.379
MAK-UNK-ec98eaf6-34
0.378
TAM-UNI-c140e31a-22
0.377
GAB-REV-4a4e2ff3-7
0.377
AAR-POS-d2a4d1df-2
0.370
MAK-UNK-be5ffcbc-5
0.368
NAU-LAT-81109c57-6
0.368
GAB-REV-4a4e2ff3-12
0.368
SCO-VAN-260d9628-8
0.363
PAT-UNK-b2d83456-4
0.363
GAB-REV-4a4e2ff3-10
0.362
GAB-REV-4a4e2ff3-2
0.360
NIR-THE-0d6461ce-3
0.358
CAL-AMP-9edebd8f-1
0.357
ELE-IMP-dfb36048-2
0.357
DUN-NEW-f8ce3686-10
0.357
DUN-NEW-f8ce3686-21
0.357
MAK-UNK-10572812-12
0.347
JOK-SYG-b9f02a42-1
0.345
DUN-NEW-f8ce3686-11
0.343
JAN-GHE-6413aaf8-5
0.343
DUN-NEW-f8ce3686-24
0.343
JOK-SYG-b9f02a42-2
0.339
GAB-REV-4a4e2ff3-19
0.339
DAR-DIA-caba39e3-6
0.339
BEN-DND-362d364a-8
0.337
ROB-UNI-b2e39629-4
0.337
JOH-MSK-d60b0211-1
0.336
PAT-UNK-b2d83456-5
0.336
WAR-XCH-e55cba98-5
0.336
ORN-MSD-5b974918-1
0.333
DAR-DIA-fb20be43-15
0.330
HAN-NEW-5f56c3bc-4
0.328
SAN-PRS-3c4a6997-1
0.326
SAN-PRS-3c4a6997-2
0.326
NAU-LAT-0543f7f2-3
0.325
NAU-LAT-30527ac5-5
0.325
JOK-SYG-b9f02a42-3
0.325
MAK-UNK-ec98eaf6-47
0.325
ROB-UNI-b2e39629-7
0.324
DAR-DIA-fb20be43-14
0.321
ROB-UNI-b2e39629-6
0.320
NAU-LAT-30527ac5-4
0.319
JOH-MSK-a63bdd1d-5
0.317
JOH-MSK-a63bdd1d-4
0.316
MAR-UCB-195bc32d-16
0.316
MAK-UNK-ec98eaf6-54
0.310
MAK-UNK-ec98eaf6-41
0.306
JOH-MSK-35a8745a-1
0.306
ALE-ACE-2610ee4d-1
0.306
MAR-UCB-195bc32d-21
0.306
JOH-MEM-4bb7e4cc-1
0.303
MAT-GIT-deadff56-1
0.303
DUN-NEW-f8ce3686-12
0.303