Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(CN(C)C(C)=O)cc(F)cc12 |
MW: | 305.353 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.2 |
cLogP: | 1.9639 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
SIM-DEM-265738e1-1
0.620
SAM-UNK-903735bd-2
0.620
TAM-UNI-c140e31a-15
0.620
PET-SGC-f818f65b-1
0.620
ELE-IMP-dfb36048-1
0.620
MAK-UNK-be5ffcbc-2
0.587
MAK-UNK-be5ffcbc-4
0.558
ASH-UNK-40b46b30-5
0.551
SAM-UNK-903735bd-1
0.551
MAK-UNK-be5ffcbc-9
0.543
GAB-REV-4a4e2ff3-8
0.531
TAM-UNI-c140e31a-2
0.531
DAR-DIA-fb20be43-11
0.524
NAU-LAT-f723e322-1
0.524
STU-CHA-bc0a9883-1
0.524
JOK-SYG-302da050-1
0.524
NAU-LAT-f723e322-2
0.518
GAB-REV-4a4e2ff3-3
0.518
NIR-THE-0d6461ce-2
0.512
MAK-UNK-ec98eaf6-33
0.500
JOK-SYG-b7365cd7-1
0.500
GAB-REV-4a4e2ff3-15
0.500
NAU-LAT-81109c57-7
0.494
GAB-REV-4a4e2ff3-1
0.489
PET-SGC-1c3a473d-1
0.489
GAB-REV-4a4e2ff3-14
0.487
MAK-UNK-be5ffcbc-6
0.475
GAB-REV-4a4e2ff3-4
0.467
HAN-NEW-5f56c3bc-2
0.462
LON-WEI-af038623-6
0.458
MAK-UNK-be5ffcbc-5
0.453
GAB-REV-4a4e2ff3-6
0.452
AAR-POS-d2a4d1df-2
0.452
GAB-REV-4a4e2ff3-21
0.447
NAU-LAT-81109c57-5
0.447
GAB-REV-4a4e2ff3-19
0.444
NAU-LAT-81109c57-3
0.442
ROB-UNI-b2e39629-4
0.438
BEN-DND-362d364a-8
0.438
NAU-LAT-81109c57-6
0.437
GAB-REV-4a4e2ff3-5
0.424
GAB-REV-4a4e2ff3-10
0.423
GAB-REV-4a4e2ff3-17
0.423
NIR-THE-0d6461ce-3
0.422
ASH-UNK-40b46b30-7
0.422
ROB-UNI-b2e39629-6
0.418
MAK-UNK-ec98eaf6-34
0.415
GAB-REV-4a4e2ff3-13
0.413
ELE-IMP-dfb36048-2
0.412
CAL-AMP-9edebd8f-1
0.412
DUN-NEW-f8ce3686-10
0.412
GAB-REV-4a4e2ff3-9
0.406
GAB-REV-4a4e2ff3-11
0.406
GAB-REV-4a4e2ff3-2
0.406
GAB-REV-4a4e2ff3-18
0.404
TAM-UNI-c140e31a-3
0.404
WAR-XCH-e55cba98-5
0.404
ROB-UNI-b2e39629-7
0.402
WAR-XCH-e55cba98-2
0.402
TAM-UNI-c140e31a-22
0.398
JOH-MSK-d60b0211-1
0.398
PAT-UNK-b2d83456-5
0.398
DUN-NEW-f8ce3686-21
0.395
SAN-PRS-3c4a6997-1
0.395
WAR-XCH-e55cba98-3
0.392
ORN-MSD-5b974918-1
0.391
DAR-DIA-fb20be43-15
0.389
GAB-REV-4a4e2ff3-16
0.388
GAB-REV-4a4e2ff3-20
0.388
GAB-REV-4a4e2ff3-7
0.384
PAT-UNK-b2d83456-4
0.384
JOH-MSK-a63bdd1d-4
0.382
MAR-UCB-195bc32d-16
0.382
DAR-DIA-caba39e3-6
0.380
SAN-PRS-3c4a6997-2
0.378
DAR-DIA-fb20be43-14
0.376
JOK-SYG-b9f02a42-1
0.376
DUN-NEW-f8ce3686-11
0.375
GAB-REV-4a4e2ff3-12
0.373
SCO-VAN-260d9628-7
0.372
JOK-SYG-b9f02a42-2
0.368
SCO-VAN-260d9628-8
0.368
JOH-MSK-35a8745a-1
0.367
ALE-ACE-2610ee4d-1
0.367
MAR-UCB-195bc32d-21
0.367
FRA-DIA-8640f307-1
0.366
JOK-SYG-b9f02a42-3
0.365
JOH-MEM-4bb7e4cc-1
0.362
MAT-GIT-deadff56-1
0.362
JOH-MSK-a63bdd1d-1
0.362
DUN-NEW-f8ce3686-12
0.362
MAK-UNK-10572812-12
0.362
DUN-NEW-f8ce3686-24
0.359
JAN-GHE-6413aaf8-5
0.359
SCO-VAN-260d9628-6
0.356
NAU-LAT-0543f7f2-3
0.351
NAU-LAT-30527ac5-5
0.351
NAU-LAT-30527ac5-6
0.347
JOH-MSK-a63bdd1d-5
0.345
NAU-LAT-81109c57-1
0.345