Molecular Properties | |
SMILES: | CN(C)C(=O)C=CC(=O)N1Cc2ccccc2[C@H](c2cccc(Cl)c2)C1 |
MW: | 368.864 |
Fraction sp3: | 0.24 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 3.4585 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
vinyl michael acceptor1
AAR-POS-0daf6b7e-14
RAI-NOV-a7d52b4a-1
0.581
REN-UFA-aaaed2d6-1
0.494
NIR-THE-c331be7a-6
0.447
NIR-THE-c331be7a-1
0.430
DAR-DIA-caba39e3-2
0.427
REN-UFA-aaaed2d6-4
0.426
DAR-DIA-caba39e3-1
0.414
NIR-THE-c331be7a-2
0.404
RAI-NOV-a7d52b4a-2
0.391
REN-UFA-aaaed2d6-2
0.385
AAR-POS-0daf6b7e-14
0.381
SEA-TRI-078a8df3-1
0.380
REN-UFA-aaaed2d6-3
0.378
REN-UFA-aaaed2d6-5
0.368
RAI-NOV-a7d52b4a-5
0.364
RAI-NOV-a7d52b4a-4
0.356
JAR-IMP-ed466bb3-3
0.354
REN-UFA-aaaed2d6-6
0.354
JAR-IMP-ed466bb3-8
0.352
SAD-SAT-1f400d17-9
0.344
JAR-IMP-ed466bb3-7
0.344
TAM-UNI-d1c3dd9f-7
0.340
DAV-CRI-3fe943ba-2
0.330
JAR-IMP-ed466bb3-4
0.330
MAT-POS-7174c657-3
0.330
TAM-UNI-d1c3dd9f-8
0.327
RAI-NOV-2f6a9876-6
0.327
JAR-IMP-ed466bb3-13
0.326
MIH-UNI-e573136b-9
0.323
NIR-THE-c331be7a-4
0.323
SEA-TRI-fac72a44-1
0.321
TAM-UNI-d1c3dd9f-11
0.321
TAM-UNI-d1c3dd9f-3
0.320
MIH-UNI-e573136b-12
0.320
NIR-THE-c331be7a-5
0.320
DAV-CRI-3fe943ba-1
0.320
DOU-UNK-b5326f8f-14
0.317
DAR-DIA-caba39e3-8
0.310
DAV-CRI-1c77f7a9-4
0.306
TAM-UNI-d1c3dd9f-10
0.305
JAR-IMP-ed466bb3-2
0.303
RAV-REL-e0cd5b56-1
0.300
DAR-DIA-caba39e3-9
0.298
MIC-UNK-50cce87d-11
0.292
PET-UNK-c9c1e0d8-3
0.291
DAR-DIA-caba39e3-3
0.290
EDJ-MED-e66f2cc5-1
0.289
MIC-UNK-50cce87d-7
0.288
PET-UNK-eda34f30-1
0.286
JAR-IMP-ed466bb3-1
0.286
IND-SYN-6c8299e8-3
0.284
DAR-DIA-caba39e3-7
0.284
MIH-UNI-e573136b-10
0.284
DAR-DIA-f6ee7aeb-1
0.282
PET-UNK-7a31b064-4
0.282
VLA-UCB-1dbca3b4-7
0.280
SAL-INS-1c7a5a55-1
0.279
VLA-UCB-1dbca3b4-4
0.278
DAR-DIA-caba39e3-5
0.278
PET-UNK-7a31b064-3
0.277
PET-UNK-67cd1298-1
0.277
EDJ-MED-c292668a-1
0.277
NAM-UNK-f7c77a48-3
0.276
PET-UNK-f92d7c0c-9
0.275
DAR-DIA-caba39e3-10
0.274
PET-UNK-7a31b064-5
0.273
MIC-UNK-50cce87d-12
0.273
MAK-UNK-702fb7d3-13
0.272
JAR-IMP-ed466bb3-12
0.272
GIA-UNK-80c9bc96-1
0.272
PET-UNK-c9c1e0d8-4
0.272
EDG-MED-5d232de5-8
0.272
EDG-MED-5d232de5-7
0.272
DAR-DIA-caba39e3-4
0.271
PET-UNK-7b413b46-8
0.271
PET-UNK-7b413b46-4
0.271
MIC-UNK-50cce87d-8
0.271
MIC-UNK-50cce87d-9
0.271
VLA-UCB-eb340134-1
0.271
PET-UNK-3e354a91-1
0.271
PET-UNK-4dc48bbe-1
0.268
PET-UNK-7a31b064-6
0.267
JAR-IMP-ed466bb3-6
0.267
MAK-UNK-702fb7d3-17
0.267
MAK-UNK-702fb7d3-19
0.267
MIC-UNK-50cce87d-5
0.267
MIC-UNK-50cce87d-10
0.267
JAR-IMP-ed466bb3-9
0.267
VLA-UCB-eb340134-3
0.266
RAV-REL-e0cd5b56-3
0.264
VLA-UCB-53bdeed6-1
0.263
MIC-UNK-50cce87d-6
0.262
NIR-THE-c331be7a-3
0.261
DAR-DIA-caba39e3-11
0.261
PET-UNK-7a31b064-1
0.259
PET-UNK-5ddd54c7-2
0.259
JAR-IMP-ed466bb3-17
0.259
MAK-UNK-702fb7d3-20
0.258
PET-UNK-fcd64629-1
0.257
NAU-LAT-28398581-5
0.257