Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(N(C)Cc3ccc4[nH]ncc4c3)cc(F)cc12 |
MW: | 379.439 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 76.81 |
cLogP: | 3.4983 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-12
0.592
GAB-REV-4a4e2ff3-9
0.514
GAB-REV-4a4e2ff3-19
0.439
WIL-LEE-1f71e281-6
0.423
MAK-UNK-be5ffcbc-9
0.419
NAU-LAT-81109c57-3
0.410
TAM-UNI-c140e31a-3
0.405
GAB-REV-4a4e2ff3-14
0.402
MAK-UNK-be5ffcbc-4
0.398
PET-SGC-1c3a473d-1
0.396
GAB-REV-4a4e2ff3-8
0.396
GAB-REV-df64cf17-4
0.396
JOK-SYG-b7365cd7-1
0.396
NIR-THE-0d6461ce-3
0.394
ASH-UNK-40b46b30-7
0.394
GAB-REV-4a4e2ff3-18
0.393
MAK-UNK-be5ffcbc-5
0.393
GAB-REV-4a4e2ff3-20
0.391
GAB-REV-4a4e2ff3-6
0.390
MAK-UNK-be5ffcbc-2
0.388
GAB-REV-4a4e2ff3-7
0.388
NAU-LAT-81109c57-5
0.387
GAB-REV-4a4e2ff3-21
0.387
GAB-REV-4a4e2ff3-1
0.386
GAB-REV-4a4e2ff3-5
0.384
AAR-POS-d2a4d1df-2
0.383
GAB-REV-4a4e2ff3-2
0.383
SAM-UNK-903735bd-1
0.381
LON-WEI-af038623-6
0.381
GAB-REV-4a4e2ff3-16
0.379
MAK-UNK-be5ffcbc-6
0.379
GAB-REV-4a4e2ff3-15
0.378
GAB-REV-4a4e2ff3-3
0.378
MAK-UNK-ec98eaf6-34
0.377
SAM-UNK-903735bd-2
0.376
PET-SGC-f818f65b-1
0.376
TAM-UNI-c140e31a-15
0.376
SIM-DEM-265738e1-1
0.376
ELE-IMP-dfb36048-1
0.376
GAB-REV-4a4e2ff3-13
0.375
GAB-REV-4a4e2ff3-11
0.371
TAM-UNI-c140e31a-2
0.370
ASH-UNK-40b46b30-5
0.368
STU-CHA-bc0a9883-1
0.367
JOK-SYG-302da050-1
0.367
NAU-LAT-f723e322-1
0.367
DAR-DIA-fb20be43-11
0.367
NAU-LAT-f723e322-2
0.364
ROB-UNI-b2e39629-6
0.360
WAR-XCH-e55cba98-2
0.356
NAU-LAT-81109c57-6
0.355
SAN-PRS-3c4a6997-1
0.354
MAK-UNK-ec98eaf6-33
0.354
DAR-DIA-caba39e3-6
0.350
NIR-THE-0d6461ce-2
0.348
WAR-XCH-e55cba98-3
0.347
NAU-LAT-81109c57-7
0.342
TAM-UNI-c140e31a-22
0.342
ROB-UNI-b2e39629-7
0.337
GAB-REV-4a4e2ff3-4
0.336
MAK-UNK-10572812-12
0.336
ALE-ACE-2610ee4d-1
0.333
VLA-UCB-00f2c2b3-2
0.333
JOH-MSK-35a8745a-1
0.333
MAR-UCB-195bc32d-21
0.333
JOH-MSK-a63bdd1d-4
0.330
MAR-UCB-195bc32d-16
0.330
GAB-REV-4a4e2ff3-10
0.328
NAU-LAT-30527ac5-5
0.325
NAU-LAT-0543f7f2-3
0.325
DAR-DIA-fb20be43-14
0.322
NAU-LAT-30527ac5-4
0.320
JOH-MSK-a63bdd1d-5
0.317
DUN-NEW-f8ce3686-12
0.317
MAT-GIT-deadff56-1
0.317
JOH-MEM-4bb7e4cc-1
0.317
WAR-XCH-e55cba98-5
0.315
ANT-OPE-b90194ad-1
0.315
JOK-SYG-b9f02a42-3
0.314
JOH-MSK-d60b0211-1
0.312
PAT-UNK-b2d83456-5
0.312
FRA-DIA-8640f307-1
0.311
JOK-SYG-b9f02a42-1
0.310
DAR-DIA-fb20be43-15
0.307
MAR-TRE-c317dd82-56
0.306
JOK-SYG-b9f02a42-2
0.305
NAU-LAT-81109c57-1
0.305
HAN-NEW-5f56c3bc-2
0.302
PAT-UNK-b2d83456-4
0.300
JOH-MSK-a63bdd1d-6
0.299
ROB-UNI-b2e39629-4
0.299
BEN-DND-362d364a-8
0.299
SAN-PRS-3c4a6997-2
0.299
JOH-CHE-3504ac3d-2
0.296
DUN-NEW-f8ce3686-11
0.295
ELE-IMP-dfb36048-2
0.292
CAL-AMP-9edebd8f-1
0.292
DUN-NEW-f8ce3686-10
0.292
DUN-NEW-f8ce3686-21
0.292
JOH-MSK-a63bdd1d-1
0.291