Molecular Properties | |
SMILES: | O=C(N1Cc2ccccc2[C@H](c2ccccc2)C1)[C@]1(F)CCCOC1 |
MW: | 339.41 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 29.54 |
cLogP: | 3.6794 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
AAR-POS-0daf6b7e-14
0.500
REN-UFA-aaaed2d6-2
0.476
JAR-IMP-ed466bb3-8
0.476
REN-UFA-aaaed2d6-3
0.470
JAR-IMP-ed466bb3-7
0.460
JAR-IMP-ed466bb3-13
0.442
REN-UFA-aaaed2d6-6
0.438
REN-UFA-aaaed2d6-1
0.437
RAI-NOV-a7d52b4a-2
0.432
SAD-SAT-1f400d17-9
0.427
JAR-IMP-ed466bb3-3
0.422
REN-UFA-aaaed2d6-5
0.422
RAI-NOV-a7d52b4a-5
0.415
RAI-NOV-a7d52b4a-4
0.406
JAR-IMP-ed466bb3-1
0.406
REN-UFA-aaaed2d6-4
0.404
JAR-IMP-ed466bb3-12
0.402
JAR-IMP-ed466bb3-4
0.392
MIH-UNI-e573136b-10
0.379
JAR-IMP-ed466bb3-6
0.368
JAR-IMP-ed466bb3-17
0.367
JAR-IMP-ed466bb3-2
0.366
DAR-DIA-caba39e3-1
0.360
JAR-IMP-ed466bb3-9
0.351
NIR-THE-c331be7a-6
0.344
NIR-THE-c331be7a-1
0.344
JAR-IMP-ed466bb3-16
0.340
MAK-UNK-702fb7d3-2
0.339
MAK-UNK-702fb7d3-18
0.339
NIR-THE-c331be7a-2
0.337
MAK-UNK-702fb7d3-20
0.333
JAR-IMP-ed466bb3-14
0.333
TAM-UNI-d1c3dd9f-7
0.333
WAR-XCH-b72a1bbc-22
0.330
DAR-DIA-caba39e3-2
0.330
MAK-UNK-702fb7d3-3
0.328
MAK-UNK-702fb7d3-1
0.328
RAI-NOV-a7d52b4a-1
0.327
RAI-NOV-a7d52b4a-3
0.327
THO-SYG-4e0386bb-1
0.326
SAL-INS-1c7a5a55-1
0.323
MAK-UNK-702fb7d3-17
0.323
MIH-UNI-e573136b-15
0.320
WAR-XCH-b72a1bbc-13
0.313
JAR-IMP-ed466bb3-5
0.312
MAK-UNK-702fb7d3-21
0.312
MAK-UNK-702fb7d3-19
0.312
SAL-INS-1c7a5a55-2
0.308
DAV-SYG-f22c749d-4
0.308
SAL-INS-1c7a5a55-5
0.307
DAV-SYG-f22c749d-5
0.303
DAR-DIA-caba39e3-7
0.303
NIR-THE-c331be7a-4
0.301
MIH-UNI-e573136b-9
0.301
DAV-CRI-3fe943ba-1
0.301
MIH-UNI-e573136b-12
0.301
TAM-UNI-d1c3dd9f-3
0.301
NIR-THE-c331be7a-5
0.301
DAV-CRI-3fe943ba-2
0.298
TAM-UNI-d1c3dd9f-8
0.295
DAR-DIA-caba39e3-13
0.289
TAM-UNI-d1c3dd9f-10
0.286
DOU-UNK-b5326f8f-14
0.284
DAR-DIA-caba39e3-6
0.283
DAR-DIA-caba39e3-3
0.283
TAM-UNI-d1c3dd9f-11
0.281
DAR-DIA-caba39e3-9
0.279
IND-SYN-6c8299e8-3
0.277
DAR-DIA-caba39e3-8
0.277
DAR-DIA-caba39e3-4
0.276
DAR-DIA-caba39e3-12
0.276
MAT-POS-7174c657-3
0.268
DAV-CRI-8c8dd668-1
0.266
MAK-UNK-702fb7d3-14
0.265
DAR-DIA-caba39e3-11
0.265
EDJ-MED-139368ae-2
0.261
EDJ-MED-139368ae-1
0.261
BEN-DND-fa51d92c-7
0.258
MAK-UNK-702fb7d3-13
0.257
DAR-DIA-caba39e3-10
0.257
NIR-THE-c331be7a-3
0.254
JOH-MSK-2d8052dc-1
0.252
DAV-CRI-b7083e67-1
0.250
BEN-DND-fa51d92c-20
0.250
DAR-DIA-caba39e3-5
0.250
MAK-UNK-702fb7d3-9
0.248
BEN-DND-fa51d92c-14
0.248
EDJ-MED-54fbebd8-1
0.248
MIH-UNI-e573136b-11
0.247
JAN-LUN-04aedcc0-6
0.246
BEN-DND-fa51d92c-9
0.246
BEN-DND-fa51d92c-24
0.246
RAV-REL-e0cd5b56-2
0.243
DAV-CRI-f4772df7-2
0.242
DAV-CRI-f4772df7-1
0.242
DAV-CRI-1c77f7a9-3
0.241
BEN-DND-fa51d92c-4
0.240
EDJ-MED-54fbebd8-2
0.239
EDJ-MED-28cccd0c-1
0.238
BEN-DND-fa51d92c-10
0.238