Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(Oc3ccc4cn[nH]c4c3)cc(F)cc12 |
MW: | 352.369 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 82.8 |
cLogP: | 3.6542 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-7
0.596
GAB-REV-4a4e2ff3-17
0.514
NAU-LAT-81109c57-5
0.469
GAB-REV-4a4e2ff3-12
0.464
GAB-REV-4a4e2ff3-2
0.444
MAK-UNK-be5ffcbc-9
0.418
GAB-REV-4a4e2ff3-8
0.408
WIL-LEE-1f71e281-6
0.406
ASH-UNK-40b46b30-7
0.406
TAM-UNI-c140e31a-15
0.402
PET-SGC-f818f65b-1
0.402
SIM-DEM-265738e1-1
0.402
SAM-UNK-903735bd-2
0.402
ELE-IMP-dfb36048-1
0.402
GAB-REV-4a4e2ff3-6
0.402
GAB-REV-4a4e2ff3-3
0.402
GAB-REV-4a4e2ff3-14
0.400
AAR-POS-d2a4d1df-2
0.396
NAU-LAT-81109c57-3
0.394
TAM-UNI-c140e31a-3
0.391
MAK-UNK-be5ffcbc-5
0.390
MAK-UNK-be5ffcbc-6
0.390
WAR-XCH-e55cba98-2
0.389
MAK-UNK-be5ffcbc-2
0.386
GAB-REV-4a4e2ff3-13
0.385
GAB-REV-4a4e2ff3-21
0.385
GAB-REV-4a4e2ff3-1
0.384
PET-SGC-1c3a473d-1
0.382
GAB-REV-4a4e2ff3-5
0.382
TAM-UNI-c140e31a-2
0.381
WAR-XCH-e55cba98-3
0.381
JOK-SYG-b7365cd7-1
0.380
LON-WEI-af038623-6
0.379
ASH-UNK-40b46b30-5
0.379
GAB-REV-4a4e2ff3-18
0.378
GAB-REV-4a4e2ff3-15
0.376
MAK-UNK-ec98eaf6-34
0.375
NAU-LAT-f723e322-2
0.374
GAB-REV-4a4e2ff3-19
0.373
MAK-UNK-be5ffcbc-4
0.369
GAB-REV-4a4e2ff3-11
0.368
NIR-THE-0d6461ce-3
0.367
SAM-UNK-903735bd-1
0.365
GAB-REV-4a4e2ff3-16
0.365
GAB-REV-4a4e2ff3-20
0.365
NAU-LAT-f723e322-1
0.364
STU-CHA-bc0a9883-1
0.364
JOK-SYG-302da050-1
0.364
DAR-DIA-fb20be43-11
0.364
MAK-UNK-ec98eaf6-33
0.364
NAU-LAT-81109c57-7
0.363
TAM-UNI-c140e31a-22
0.362
BEN-VAN-d8fd1356-16
0.362
MAR-UCB-195bc32d-21
0.358
ALE-ACE-2610ee4d-1
0.358
JOH-MSK-35a8745a-1
0.358
MAK-UNK-10572812-12
0.355
NAU-LAT-81109c57-6
0.352
SAN-PRS-3c4a6997-1
0.351
NIR-THE-0d6461ce-2
0.345
GAB-REV-4a4e2ff3-4
0.345
WAR-XCH-e55cba98-5
0.345
BEN-VAN-d8fd1356-27
0.343
JOH-MSK-a63bdd1d-4
0.340
MAR-UCB-195bc32d-16
0.340
NAU-LAT-81109c57-1
0.340
JOH-MSK-a63bdd1d-5
0.340
FRA-DIA-8640f307-1
0.338
BEN-VAN-d8fd1356-10
0.336
DAR-DIA-caba39e3-6
0.336
MAT-GIT-deadff56-1
0.327
JOH-MEM-4bb7e4cc-1
0.327
DUN-NEW-f8ce3686-12
0.327
GAB-REV-4a4e2ff3-10
0.325
BEN-VAN-d8fd1356-15
0.324
HAN-NEW-5f56c3bc-2
0.324
PAT-UNK-b2d83456-5
0.321
JOH-MSK-d60b0211-1
0.321
ROB-UNI-b2e39629-7
0.320
DAR-DIA-fb20be43-14
0.319
ROB-UNI-b2e39629-6
0.317
NAU-LAT-30527ac5-4
0.317
MAR-TRE-c317dd82-56
0.315
JOH-MSK-a63bdd1d-1
0.313
NAU-LAT-0543f7f2-3
0.310
NAU-LAT-30527ac5-5
0.310
BEN-VAN-d8fd1356-11
0.310
TAM-UNI-c140e31a-16
0.309
SAN-PRS-3c4a6997-2
0.309
PAT-UNK-b2d83456-4
0.308
WIL-LEE-364b6ea8-13
0.308
BEN-DND-362d364a-8
0.308
ROB-UNI-b2e39629-4
0.308
JOH-MSK-a63bdd1d-2
0.308
BEN-VAN-d8fd1356-25
0.305
BEN-VAN-d8fd1356-8
0.304
DAR-DIA-fb20be43-15
0.304
JOK-SYG-b9f02a42-2
0.302
DUN-NEW-f8ce3686-10
0.301
DUN-NEW-f8ce3686-21
0.301