Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(C)c2ccc(F)cc12 |
MW: | 234.274 |
Fraction sp3: | 0.31 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 34.03 |
cLogP: | 1.996 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
TAM-UNI-d1c3dd9f-23
0.442
AAR-POS-d2a4d1df-2
0.435
PET-SGC-708ec5d8-1
0.419
SAN-PRS-3c4a6997-5
0.394
TAM-UNI-d1c3dd9f-19
0.388
TAM-UNI-d1c3dd9f-24
0.380
MAR-TRE-3159af1a-53
0.361
DUN-NEW-f8ce3686-8
0.352
ROB-UNI-b2e39629-11
0.352
TAM-UNI-d1c3dd9f-20
0.349
MAK-UNK-be5ffcbc-9
0.347
JOH-MEM-5e386bbd-3
0.341
ROB-UNI-b2e39629-12
0.341
TAM-UNI-c140e31a-2
0.330
MAK-UNK-be5ffcbc-4
0.329
JOH-MSK-ec639444-3
0.329
JOK-SYG-b7365cd7-1
0.325
MAR-UCB-195bc32d-16
0.324
JOH-MSK-a63bdd1d-4
0.324
DUN-NEW-f8ce3686-13
0.322
MAK-UNK-be5ffcbc-6
0.321
WIL-LEE-1f71e281-6
0.321
SIM-DEM-5935bd74-3
0.321
NAU-LAT-81109c57-5
0.318
MAK-UNK-be5ffcbc-2
0.318
GAB-REV-4a4e2ff3-14
0.318
SAM-UNK-903735bd-2
0.317
SIM-DEM-265738e1-1
0.317
PET-SGC-f818f65b-1
0.317
TAM-UNI-c140e31a-15
0.317
ELE-IMP-dfb36048-1
0.317
TAM-UNI-c140e31a-3
0.316
NAU-LAT-81109c57-3
0.315
ROB-UNI-b2e39629-8
0.314
ROB-UNI-b2e39629-5
0.310
SAM-UNK-903735bd-1
0.310
NAU-LAT-81109c57-1
0.309
NAU-LAT-f723e322-2
0.308
MAK-UNK-be5ffcbc-8
0.308
GAB-REV-4a4e2ff3-6
0.307
ANT-DIA-b7f58f21-4
0.306
PET-SGC-1c3a473d-1
0.305
SAN-PRS-3c4a6997-1
0.303
SAN-PRS-3c4a6997-2
0.301
ASH-UNK-40b46b30-7
0.301
GAB-REV-4a4e2ff3-8
0.300
GAB-REV-4a4e2ff3-3
0.298
GAB-REV-4a4e2ff3-15
0.298
NAU-LAT-f723e322-1
0.297
DAR-DIA-fb20be43-11
0.297
NAU-LAT-81109c57-6
0.297
JOK-SYG-302da050-1
0.297
STU-CHA-bc0a9883-1
0.297
NAU-LAT-81109c57-8
0.296
DUN-NEW-f8ce3686-5
0.296
DUN-NEW-f8ce3686-6
0.296
LON-WEI-af038623-6
0.295
ASH-UNK-40b46b30-5
0.295
MAR-UCB-195bc32d-21
0.295
JOH-MSK-35a8745a-1
0.295
ALE-ACE-2610ee4d-1
0.295
GAB-REV-4a4e2ff3-2
0.293
GAB-REV-4a4e2ff3-9
0.293
ASH-SAT-43770c7d-8
0.293
MAK-UNK-be5ffcbc-7
0.292
DUN-NEW-f8ce3686-12
0.291
MAT-GIT-deadff56-1
0.291
JOH-MEM-4bb7e4cc-1
0.291
NIR-THE-0d6461ce-2
0.290
NAU-LAT-81109c57-4
0.289
GAB-REV-4a4e2ff3-21
0.289
MAK-UNK-be5ffcbc-1
0.287
NIR-THE-0d6461ce-3
0.287
TAM-UNI-c140e31a-22
0.287
NAU-LAT-81109c57-7
0.286
MAK-UNK-ec98eaf6-34
0.286
MAK-UNK-ec98eaf6-33
0.284
DUN-NEW-f8ce3686-9
0.283
MAK-UNK-be5ffcbc-5
0.283
WAR-XCH-e55cba98-5
0.282
GAB-REV-4a4e2ff3-13
0.281
MAR-TRE-3159af1a-15
0.280
WAR-XCH-e55cba98-3
0.280
CHA-MCP-85291e1d-3
0.279
GAB-REV-4a4e2ff3-5
0.278
GAB-REV-4a4e2ff3-16
0.277
DUN-NEW-f8ce3686-21
0.277
JOH-MSK-a63bdd1d-5
0.277
ANT-OPE-81f9835f-1
0.276
GAB-REV-4a4e2ff3-18
0.276
JOH-MSK-a63bdd1d-1
0.275
GAB-REV-4a4e2ff3-7
0.275
CHA-MCP-85291e1d-7
0.274
CHA-MCP-85291e1d-1
0.274
MAR-TRE-3159af1a-3
0.274
ROB-UNI-b2e39629-9
0.273
DAR-DIA-caba39e3-6
0.272
GAB-REV-4a4e2ff3-10
0.272
GAB-REV-4a4e2ff3-17
0.272
MAK-UNK-be5ffcbc-3
0.272