Molecular Properties | |
SMILES: | NC(=O)NCCc1c[nH]c2c(CCN3CCCOCC3)cc(F)cc12 |
MW: | 348.422 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.38 |
cLogP: | 1.7826 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-be5ffcbc-4
0.523
ORN-MSD-f9d8c68a-1
0.441
PET-SGC-f818f65b-1
0.433
TAM-UNI-c140e31a-15
0.433
ELE-IMP-dfb36048-1
0.433
SIM-DEM-265738e1-1
0.433
SAM-UNK-903735bd-2
0.433
MAK-UNK-be5ffcbc-2
0.430
SAM-UNK-903735bd-1
0.421
STU-CHA-bc0a9883-1
0.404
DAR-DIA-fb20be43-11
0.404
NAU-LAT-f723e322-1
0.404
JOK-SYG-302da050-1
0.404
NAU-LAT-f723e322-2
0.400
NIR-THE-0d6461ce-2
0.396
GAB-REV-4a4e2ff3-8
0.394
ASH-UNK-40b46b30-5
0.392
WIL-LEE-1f71e281-6
0.391
MAK-UNK-be5ffcbc-7
0.388
MAK-UNK-ec98eaf6-33
0.375
NAU-LAT-81109c57-7
0.361
MAK-UNK-be5ffcbc-9
0.356
TAM-UNI-c140e31a-2
0.353
MAK-UNK-be5ffcbc-6
0.347
MAK-UNK-9955b1f3-16
0.344
PET-SGC-1c3a473d-1
0.343
GAB-REV-4a4e2ff3-3
0.336
GAB-REV-4a4e2ff3-15
0.336
SCO-VAN-260d9628-6
0.333
GAB-REV-4a4e2ff3-1
0.333
GAB-REV-4a4e2ff3-4
0.330
NAU-LAT-81109c57-6
0.324
MAK-UNK-be5ffcbc-5
0.324
PAT-UNK-b2d83456-5
0.317
NAU-LAT-81109c57-4
0.317
NAU-LAT-81109c57-5
0.317
JOH-MSK-d60b0211-1
0.317
GAB-REV-4a4e2ff3-14
0.317
SCO-VAN-260d9628-8
0.317
BEN-VAN-d8fd1356-21
0.316
NIR-THE-0d6461ce-3
0.315
NAU-LAT-81109c57-3
0.314
LON-WEI-af038623-6
0.311
JOK-SYG-b7365cd7-1
0.310
GAB-REV-4a4e2ff3-6
0.308
JOK-SYG-302da050-2
0.308
SCO-VAN-260d9628-7
0.307
BEN-VAN-d8fd1356-22
0.306
HAN-NEW-5f56c3bc-2
0.306
MAK-UNK-be5ffcbc-1
0.304
DAR-DIA-fb20be43-14
0.303
JOK-SYG-b9f02a42-1
0.303
MAK-UNK-ec98eaf6-34
0.301
DAR-DIA-fb20be43-15
0.299
NAU-LAT-81109c57-8
0.299
JOK-SYG-b9f02a42-2
0.297
GAB-REV-4a4e2ff3-19
0.297
WAR-XCH-e55cba98-5
0.297
JOK-SYG-b9f02a42-3
0.295
WAR-XCH-e55cba98-2
0.293
GAB-REV-4a4e2ff3-21
0.292
GAB-REV-4a4e2ff3-18
0.292
MAR-TRE-3159af1a-1
0.292
PAT-UNK-b2d83456-4
0.291
AAR-POS-d2a4d1df-2
0.290
ROB-UNI-b2e39629-4
0.290
BEN-DND-362d364a-8
0.290
BEN-VAN-d8fd1356-27
0.288
NAU-LAT-81109c57-2
0.288
GAB-REV-4a4e2ff3-10
0.288
DAR-DIA-caba39e3-6
0.288
JOR-UNI-61e7b1d5-10
0.288
JAN-GHE-6413aaf8-5
0.287
MAR-TRE-3159af1a-21
0.287
JOR-UNI-2fc98d0b-9
0.287
MAK-UNK-10572812-12
0.287
DUN-NEW-f8ce3686-11
0.286
MAK-UNK-9955b1f3-15
0.286
GAB-REV-4a4e2ff3-2
0.284
GAB-REV-4a4e2ff3-9
0.284
GAB-REV-4a4e2ff3-11
0.284
WAR-XCH-e55cba98-3
0.284
JAN-GHE-6413aaf8-3
0.282
MAK-UNK-be5ffcbc-8
0.281
TAM-UNI-c140e31a-16
0.280
TAM-UNI-c140e31a-22
0.280
JAN-GHE-6413aaf8-6
0.280
ASH-UNK-40b46b30-7
0.279
JAN-GHE-6413aaf8-1
0.278
MAK-UNK-be5ffcbc-3
0.278
GAB-REV-4a4e2ff3-17
0.277
JAN-GHE-6413aaf8-8
0.276
MAR-TRE-3159af1a-44
0.276
JOH-CHE-3504ac3d-2
0.275
DUN-NEW-f8ce3686-24
0.275
ANT-OPE-b90194ad-1
0.275
GAB-REV-4a4e2ff3-13
0.274
MAK-UNK-9955b1f3-2
0.274
GAB-REV-4a4e2ff3-12
0.273
GAB-REV-4a4e2ff3-5
0.272