Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CC3CC4CC3CN4C(=O)CCl)cc(F)cc12 |
MW: | 405.16 |
Fraction sp3: | 0.52 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 65.2 |
cLogP: | 3.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
NIR-THE-0d6461ce-2
0.632
MAK-UNK-ec98eaf6-34
0.609
STU-CHA-bc0a9883-1
0.538
NAU-LAT-f723e322-1
0.538
DAR-DIA-fb20be43-11
0.538
JOK-SYG-302da050-1
0.538
SAM-UNK-903735bd-2
0.512
SIM-DEM-265738e1-1
0.512
ELE-IMP-dfb36048-1
0.512
TAM-UNI-c140e31a-15
0.512
PET-SGC-f818f65b-1
0.512
SAM-UNK-903735bd-1
0.511
MAK-UNK-be5ffcbc-2
0.506
MAK-UNK-be5ffcbc-4
0.500
WIL-LEE-1f71e281-6
0.500
ASH-UNK-40b46b30-5
0.495
NAU-LAT-81109c57-6
0.489
DAR-DIA-caba39e3-6
0.471
NAU-LAT-f723e322-2
0.469
MAK-UNK-be5ffcbc-9
0.464
GAB-REV-4a4e2ff3-8
0.463
NIR-THE-0d6461ce-3
0.459
GAB-REV-4a4e2ff3-3
0.455
JOK-SYG-b7365cd7-1
0.451
TAM-UNI-c140e31a-2
0.448
MAK-UNK-ec98eaf6-47
0.446
GAB-REV-4a4e2ff3-15
0.440
MAK-UNK-ec98eaf6-37
0.438
MAK-UNK-be5ffcbc-6
0.430
MAK-UNK-be5ffcbc-5
0.429
DAR-DIA-fb20be43-15
0.429
NAU-LAT-81109c57-7
0.423
GAB-REV-4a4e2ff3-1
0.419
PET-SGC-1c3a473d-1
0.417
DAR-DIA-fb20be43-14
0.416
GAB-REV-4a4e2ff3-4
0.415
JOK-SYG-b9f02a42-1
0.402
MAK-UNK-ec98eaf6-38
0.400
GAB-REV-4a4e2ff3-6
0.398
GAB-REV-4a4e2ff3-14
0.396
JOK-SYG-b9f02a42-2
0.394
GAB-REV-4a4e2ff3-19
0.394
DAR-DIA-caba39e3-4
0.393
DAR-DIA-caba39e3-5
0.391
JOK-SYG-b9f02a42-3
0.390
MAK-UNK-3e0761f8-6
0.390
LON-WEI-af038623-6
0.388
DUN-NEW-f8ce3686-24
0.386
MAK-UNK-ec98eaf6-8
0.384
ROB-UNI-b2e39629-4
0.383
BEN-DND-362d364a-8
0.383
GAB-REV-4a4e2ff3-21
0.380
NAU-LAT-81109c57-5
0.380
PAT-UNK-b2d83456-5
0.380
JOH-MSK-d60b0211-1
0.380
HAN-NEW-5f56c3bc-4
0.378
NAU-LAT-81109c57-3
0.376
WAR-XCH-e55cba98-3
0.376
MAK-UNK-ec98eaf6-55
0.376
WAR-XCH-e55cba98-5
0.375
ASH-UNK-40b46b30-7
0.375
AAR-POS-d2a4d1df-2
0.375
ORN-MSD-5b974918-1
0.375
WAR-XCH-e55cba98-2
0.373
HAN-NEW-5f56c3bc-2
0.372
NIR-THE-c331be7a-3
0.368
MAK-UNK-10799360-31
0.368
MAK-UNK-ec98eaf6-54
0.368
GAB-REV-4a4e2ff3-10
0.366
ROB-UNI-b2e39629-6
0.366
MAK-UNK-ec98eaf6-41
0.365
GAB-REV-4a4e2ff3-5
0.364
GAB-REV-4a4e2ff3-9
0.364
MAK-UNK-10572812-12
0.362
CAL-AMP-9edebd8f-1
0.362
DUN-NEW-f8ce3686-10
0.362
ELE-IMP-dfb36048-2
0.362
DUN-NEW-f8ce3686-21
0.362
TAM-UNI-c140e31a-3
0.361
MAK-UNK-10799360-9
0.361
MAK-UNK-ec98eaf6-56
0.361
DUN-NEW-f8ce3686-11
0.360
GAB-REV-4a4e2ff3-12
0.360
TAM-UNI-c140e31a-22
0.357
GAB-REV-4a4e2ff3-13
0.355
GAB-REV-4a4e2ff3-17
0.354
PAT-UNK-b2d83456-4
0.354
GAB-REV-4a4e2ff3-11
0.351
GAB-REV-4a4e2ff3-2
0.351
GAB-REV-4a4e2ff3-18
0.349
GAB-REV-4a4e2ff3-20
0.348
SAN-PRS-3c4a6997-1
0.344
FRA-DIA-8640f307-1
0.344
SCO-VAN-260d9628-7
0.343
SCO-VAN-260d9628-6
0.343
ROB-UNI-b2e39629-7
0.340
MAK-UNK-ec98eaf6-35
0.340
MAK-UNK-10799360-7
0.336
GAB-REV-4a4e2ff3-16
0.336
JOH-MSK-a63bdd1d-1
0.333