Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccccc2[C@H](c2cc(Cl)cc3ccccc23)C1 |
MW: | 370.279 |
Fraction sp3: | 0.19 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 5.2061 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-caba39e3-7
0.733
DAR-DIA-caba39e3-9
0.696
NIR-THE-c331be7a-4
0.525
MIH-UNI-e573136b-9
0.525
AAR-POS-0daf6b7e-14
0.513
DAR-DIA-caba39e3-10
0.505
DAR-DIA-caba39e3-5
0.490
NIR-THE-c331be7a-2
0.476
DAR-DIA-caba39e3-11
0.475
NIR-THE-c331be7a-6
0.470
DAR-DIA-caba39e3-1
0.470
NIR-THE-c331be7a-1
0.470
DAR-DIA-caba39e3-3
0.457
DAR-DIA-caba39e3-2
0.448
TAM-UNI-d1c3dd9f-10
0.447
IND-SYN-6c8299e8-3
0.444
JAR-IMP-ed466bb3-2
0.438
DAR-DIA-caba39e3-6
0.431
TAM-UNI-d1c3dd9f-8
0.427
TAM-UNI-d1c3dd9f-3
0.421
NIR-THE-c331be7a-5
0.421
MIH-UNI-e573136b-12
0.421
DAR-DIA-caba39e3-4
0.419
DAR-DIA-caba39e3-13
0.410
DAV-CRI-3fe943ba-1
0.406
NIR-THE-c331be7a-3
0.406
DAV-CRI-3fe943ba-2
0.402
TAM-UNI-d1c3dd9f-11
0.400
TAM-UNI-d1c3dd9f-7
0.396
DAR-DIA-caba39e3-12
0.393
JAN-LUN-04aedcc0-6
0.386
MIH-UNI-e573136b-10
0.375
DAR-DIA-fb20be43-8
0.375
PAU-UNI-19862c28-1
0.375
JAR-IMP-ed466bb3-3
0.372
MIH-UNI-e573136b-15
0.372
SAL-INS-1c7a5a55-5
0.371
MIH-UNI-e573136b-11
0.371
THO-SYG-4e0386bb-1
0.367
DAR-DIA-3e9bbd81-1
0.366
JAR-IMP-ed466bb3-8
0.356
MAT-POS-7174c657-3
0.348
DAR-DIA-3e9bbd81-5
0.337
DOU-UNK-b5326f8f-14
0.333
PAU-WEI-3e86dfd8-1
0.333
MAK-UNK-702fb7d3-12
0.331
SAL-INS-1c7a5a55-6
0.324
SAL-INS-1c7a5a55-1
0.320
REN-UFA-aaaed2d6-5
0.316
REN-UFA-aaaed2d6-2
0.316
MAT-POS-4223bc15-33
0.312
MAK-UNK-702fb7d3-14
0.312
RAI-NOV-a7d52b4a-1
0.311
RAI-NOV-a7d52b4a-3
0.310
REN-UFA-aaaed2d6-3
0.309
JAR-IMP-ed466bb3-4
0.308
JOH-MSK-2d8052dc-1
0.306
MAT-POS-4223bc15-35
0.306
DAR-DIA-fb20be43-2
0.304
DAR-DIA-fb20be43-6
0.302
REN-UFA-aaaed2d6-1
0.299
DAR-DIA-3e9bbd81-2
0.297
RAI-NOV-a7d52b4a-2
0.296
SAL-INS-1c7a5a55-3
0.295
SAL-INS-1c7a5a55-2
0.294
MAK-UNK-702fb7d3-13
0.293
JAR-IMP-ed466bb3-7
0.293
JAR-IMP-ed466bb3-6
0.292
DAR-DIA-fb20be43-7
0.292
REN-UFA-aaaed2d6-4
0.291
REN-UFA-aaaed2d6-6
0.290
SAL-INS-1c7a5a55-4
0.290
MED-COV-4280ac29-31
0.289
AAR-POS-d2a4d1df-40
0.289
JAR-IMP-ed466bb3-13
0.289
THO-SYG-4e0386bb-2
0.288
RAI-NOV-a7d52b4a-5
0.288
MAK-UNK-ec98eaf6-24
0.287
JAN-LUN-04aedcc0-5
0.287
JAR-IMP-ed466bb3-12
0.286
THO-SYG-4e0386bb-3
0.286
DRR-IMP-db50bf6e-4
0.286
MAK-UNK-3f402c2b-14
0.284
MAT-POS-4e253971-2
0.284
MAK-UNK-5d2caa6f-13
0.282
MAK-UNK-6ca90168-1
0.281
RAL-THA-6e4c80cf-2
0.281
MAT-POS-4223bc15-20
0.281
SAD-SAT-1f400d17-9
0.280
EDJ-MED-c40d95bc-2
0.279
MAT-POS-4223bc15-21
0.279
RAI-NOV-2f6a9876-6
0.277
DAR-DIA-3e9bbd81-6
0.275
MIC-UNK-b9827f26-2
0.275
MIC-UNK-482af05e-2
0.274
PET-UNK-af70882d-4
0.274
LON-WEI-120e5cf5-14
0.273
MAT-POS-dd3ad2b5-3
0.273
DAV-CRI-1c77f7a9-4
0.273
MAT-POS-4223bc15-19
0.273