Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(OCc3ccccc3)cc(F)cc12 |
MW: | 326.371 |
Fraction sp3: | 0.21 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 54.12 |
cLogP: | 3.5646 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-2
0.636
GAB-REV-4a4e2ff3-7
0.521
MAK-UNK-be5ffcbc-9
0.500
NAU-LAT-81109c57-3
0.478
GAB-REV-4a4e2ff3-9
0.469
GAB-REV-4a4e2ff3-21
0.467
GAB-REV-4a4e2ff3-8
0.462
GAB-REV-4a4e2ff3-5
0.458
GAB-REV-4a4e2ff3-14
0.455
WIL-LEE-1f71e281-6
0.447
MAK-UNK-be5ffcbc-6
0.443
PET-SGC-f818f65b-1
0.442
SAM-UNK-903735bd-2
0.442
SIM-DEM-265738e1-1
0.442
ELE-IMP-dfb36048-1
0.442
TAM-UNI-c140e31a-15
0.442
MAK-UNK-be5ffcbc-2
0.438
AAR-POS-d2a4d1df-2
0.438
GAB-REV-4a4e2ff3-3
0.438
MAK-UNK-be5ffcbc-4
0.433
GAB-REV-4a4e2ff3-13
0.433
JOK-SYG-b7365cd7-1
0.432
TAM-UNI-c140e31a-2
0.430
GAB-REV-4a4e2ff3-1
0.430
ASH-UNK-40b46b30-5
0.429
ASH-UNK-40b46b30-7
0.427
GAB-REV-4a4e2ff3-11
0.426
GAB-REV-4a4e2ff3-18
0.424
GAB-REV-4a4e2ff3-6
0.424
GAB-REV-4a4e2ff3-15
0.423
SAM-UNK-903735bd-1
0.413
LON-WEI-af038623-6
0.413
WAR-XCH-e55cba98-3
0.412
GAB-REV-4a4e2ff3-16
0.408
WAR-XCH-e55cba98-2
0.408
GAB-REV-4a4e2ff3-20
0.408
NAU-LAT-f723e322-2
0.406
NAU-LAT-81109c57-7
0.406
TAM-UNI-c140e31a-22
0.404
GAB-REV-4a4e2ff3-4
0.398
TAM-UNI-c140e31a-3
0.396
STU-CHA-bc0a9883-1
0.396
NAU-LAT-f723e322-1
0.396
JOK-SYG-302da050-1
0.396
MAK-UNK-be5ffcbc-5
0.396
NAU-LAT-81109c57-6
0.396
DAR-DIA-fb20be43-11
0.396
ROB-UNI-b2e39629-6
0.391
MAR-UCB-195bc32d-16
0.390
JOH-MSK-a63bdd1d-4
0.390
GAB-REV-4a4e2ff3-19
0.390
NIR-THE-0d6461ce-2
0.388
SAN-PRS-3c4a6997-2
0.388
GAB-REV-4a4e2ff3-10
0.387
GAB-REV-4a4e2ff3-17
0.387
DAR-DIA-caba39e3-6
0.387
PET-SGC-1c3a473d-1
0.386
SAN-PRS-3c4a6997-1
0.386
NIR-THE-0d6461ce-3
0.384
MAK-UNK-10572812-12
0.382
MAK-UNK-ec98eaf6-33
0.380
GAB-REV-4a4e2ff3-12
0.380
MAK-UNK-ec98eaf6-34
0.379
ROB-UNI-b2e39629-7
0.378
MAR-UCB-195bc32d-21
0.376
ALE-ACE-2610ee4d-1
0.376
JOH-MSK-35a8745a-1
0.376
MAT-GIT-deadff56-1
0.372
JOH-MEM-4bb7e4cc-1
0.372
JOH-MSK-a63bdd1d-1
0.372
DUN-NEW-f8ce3686-12
0.372
CAL-AMP-9edebd8f-1
0.371
DUN-NEW-f8ce3686-10
0.371
ELE-IMP-dfb36048-2
0.371
ROB-UNI-b2e39629-4
0.363
BEN-DND-362d364a-8
0.363
PAU-WEI-b9b69149-7
0.361
BEN-VAN-d8fd1356-27
0.358
WAR-XCH-e55cba98-5
0.358
DUN-NEW-f8ce3686-21
0.356
JOH-MSK-a63bdd1d-5
0.356
HAN-NEW-5f56c3bc-2
0.352
MAK-UNK-10799360-31
0.351
WIL-LEE-364b6ea8-13
0.348
JOH-MSK-a63bdd1d-2
0.348
PAT-UNK-b2d83456-4
0.347
ANT-DIA-b7f58f21-4
0.347
PAT-UNK-b2d83456-5
0.347
JOH-MSK-d60b0211-1
0.347
MED-COV-4280ac29-21
0.343
NAU-LAT-30527ac5-6
0.343
NAU-LAT-81109c57-1
0.341
DUN-NEW-f8ce3686-11
0.340
DAR-DIA-fb20be43-15
0.340
NAU-LAT-30527ac5-4
0.339
MAK-UNK-ec98eaf6-54
0.339
FRA-DIA-8640f307-1
0.339
JOK-SYG-b9f02a42-3
0.333
TAM-UNI-c140e31a-16
0.333
JOK-SYG-b9f02a42-1
0.330