Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(C3(c4cccnc4)CCCCC3)cc(F)cc12 |
MW: | 379.479 |
Fraction sp3: | 0.39 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 57.78 |
cLogP: | 4.6308 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WAR-XCH-e55cba98-2
0.510
ASH-UNK-40b46b30-7
0.475
TAM-UNI-c140e31a-3
0.471
WAR-XCH-e55cba98-5
0.468
TAM-UNI-c140e31a-22
0.450
MAK-UNK-be5ffcbc-6
0.448
MAK-UNK-be5ffcbc-9
0.418
NAU-LAT-81109c57-7
0.413
NAU-LAT-81109c57-5
0.412
TAM-UNI-c140e31a-2
0.408
PET-SGC-1c3a473d-1
0.407
MAK-UNK-10572812-12
0.402
GAB-REV-4a4e2ff3-21
0.398
MAK-UNK-be5ffcbc-4
0.396
NAU-LAT-81109c57-3
0.394
ASH-UNK-40b46b30-5
0.392
WIL-LEE-1f71e281-6
0.392
NAU-LAT-81109c57-6
0.390
PET-SGC-f818f65b-1
0.388
TAM-UNI-c140e31a-15
0.388
ELE-IMP-dfb36048-1
0.388
SIM-DEM-265738e1-1
0.388
SAM-UNK-903735bd-2
0.388
MAK-UNK-be5ffcbc-2
0.386
GAB-REV-4a4e2ff3-14
0.386
GAB-REV-4a4e2ff3-7
0.386
MAK-UNK-10799360-31
0.385
GAB-REV-4a4e2ff3-1
0.384
GAB-REV-4a4e2ff3-5
0.382
GAB-REV-4a4e2ff3-9
0.381
GAB-REV-4a4e2ff3-11
0.381
JOK-SYG-b7365cd7-1
0.380
LON-WEI-af038623-6
0.379
SAM-UNK-903735bd-1
0.379
JOK-SYG-302da050-1
0.377
STU-CHA-bc0a9883-1
0.377
MAK-UNK-be5ffcbc-5
0.377
DAR-DIA-fb20be43-11
0.377
NAU-LAT-f723e322-1
0.377
GAB-REV-4a4e2ff3-3
0.376
MAK-UNK-ec98eaf6-33
0.376
GAB-REV-4a4e2ff3-13
0.373
NIR-THE-0d6461ce-2
0.370
GAB-REV-4a4e2ff3-4
0.368
GAB-REV-4a4e2ff3-8
0.368
NIR-THE-0d6461ce-3
0.367
GAB-REV-4a4e2ff3-18
0.366
AAR-POS-d2a4d1df-2
0.366
GAB-REV-4a4e2ff3-16
0.365
GAB-REV-4a4e2ff3-15
0.364
MAK-UNK-ec98eaf6-34
0.363
GAB-REV-4a4e2ff3-6
0.362
NAU-LAT-f723e322-2
0.361
DAR-DIA-caba39e3-6
0.359
GAB-REV-4a4e2ff3-10
0.359
GAB-REV-4a4e2ff3-2
0.357
GAB-REV-4a4e2ff3-19
0.348
GAB-REV-4a4e2ff3-17
0.347
NAU-LAT-0543f7f2-3
0.345
NAU-LAT-30527ac5-5
0.345
ROB-UNI-b2e39629-6
0.343
GAB-REV-4a4e2ff3-20
0.342
GAB-REV-4a4e2ff3-12
0.342
MAK-UNK-ec98eaf6-41
0.336
PAT-UNK-b2d83456-4
0.333
FRA-DIA-8640f307-1
0.328
NAU-LAT-30527ac5-4
0.328
SAN-PRS-3c4a6997-1
0.323
PAT-UNK-b2d83456-5
0.321
JOH-MSK-d60b0211-1
0.321
TAM-UNI-c140e31a-16
0.321
ROB-UNI-b2e39629-7
0.320
JOK-SYG-b9f02a42-1
0.319
DAR-DIA-fb20be43-14
0.319
DUN-NEW-f8ce3686-24
0.315
JAN-GHE-6413aaf8-5
0.315
DAR-DIA-fb20be43-15
0.315
DUN-NEW-f8ce3686-11
0.315
DUN-NEW-f8ce3686-21
0.314
JOH-MSK-a63bdd1d-5
0.314
CAL-AMP-9edebd8f-1
0.314
DUN-NEW-f8ce3686-10
0.314
ELE-IMP-dfb36048-2
0.314
JOH-MSK-a63bdd1d-4
0.312
MAR-UCB-195bc32d-16
0.312
HAN-NEW-5f56c3bc-2
0.311
MAK-UNK-37f1d6fa-1
0.309
SAN-PRS-3c4a6997-2
0.309
MAK-UNK-37f1d6fa-7
0.308
BEN-DND-362d364a-8
0.308
ROB-UNI-b2e39629-4
0.308
MAK-UNK-10572812-13
0.307
MAK-UNK-37f1d6fa-6
0.303
SHR-UNK-cde60afe-1
0.303
CHR-SOS-f7373dd1-2
0.303
JOH-MSK-35a8745a-1
0.303
ALE-ACE-2610ee4d-1
0.303
MAR-UCB-195bc32d-21
0.303
MAR-TRE-c317dd82-56
0.303
JOK-SYG-b9f02a42-2
0.302