Molecular Properties | |
SMILES: | O=C(/C=C/Cn1cncn1)N1Cc2ccccc2C(c2ccccc2)C1 |
MW: | 344.418 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 51.02 |
cLogP: | 3.0086 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
vinyl michael acceptor1
AAR-POS-0daf6b7e-14
REN-UFA-aaaed2d6-1
0.654
RAI-NOV-a7d52b4a-2
0.512
AAR-POS-0daf6b7e-14
0.494
RAI-NOV-a7d52b4a-5
0.473
JAR-IMP-ed466bb3-8
0.471
REN-UFA-aaaed2d6-3
0.465
RAI-NOV-a7d52b4a-4
0.463
REN-UFA-aaaed2d6-2
0.455
JAR-IMP-ed466bb3-7
0.440
SAD-SAT-1f400d17-9
0.440
JAR-IMP-ed466bb3-13
0.438
REN-UFA-aaaed2d6-5
0.435
REN-UFA-aaaed2d6-6
0.435
RAI-NOV-a7d52b4a-3
0.426
JAR-IMP-ed466bb3-3
0.419
RAI-NOV-2f6a9876-6
0.404
JAR-IMP-ed466bb3-1
0.390
JAR-IMP-ed466bb3-4
0.390
RAI-NOV-a7d52b4a-1
0.380
JAR-IMP-ed466bb3-6
0.380
JAR-IMP-ed466bb3-2
0.379
JAR-IMP-ed466bb3-12
0.374
NIR-THE-c331be7a-6
0.374
MIH-UNI-e573136b-10
0.363
NIR-THE-c331be7a-1
0.359
JAR-IMP-ed466bb3-14
0.347
DAR-DIA-caba39e3-1
0.344
MAK-UNK-702fb7d3-17
0.344
DAR-DIA-caba39e3-2
0.344
WAR-XCH-b72a1bbc-22
0.343
THO-SYG-4e0386bb-1
0.340
JAR-IMP-ed466bb3-16
0.340
TAM-UNI-d1c3dd9f-3
0.340
MIH-UNI-e573136b-12
0.340
NIR-THE-c331be7a-5
0.340
MAK-UNK-702fb7d3-2
0.339
MAK-UNK-702fb7d3-18
0.339
NIR-THE-c331be7a-2
0.337
JAR-IMP-ed466bb3-9
0.337
SAL-INS-1c7a5a55-1
0.337
MAK-UNK-702fb7d3-21
0.333
SAL-INS-1c7a5a55-2
0.333
MAK-UNK-702fb7d3-19
0.333
MAK-UNK-702fb7d3-1
0.328
MAK-UNK-702fb7d3-3
0.328
JAR-IMP-ed466bb3-17
0.327
DAV-SYG-f22c749d-5
0.323
MAK-UNK-702fb7d3-20
0.323
MIH-UNI-e573136b-15
0.320
DAV-SYG-f22c749d-4
0.318
DAR-DIA-caba39e3-10
0.315
WAR-XCH-b72a1bbc-13
0.314
JAR-IMP-ed466bb3-5
0.313
IND-SYN-6c8299e8-3
0.304
MIH-UNI-e573136b-9
0.302
NIR-THE-c331be7a-4
0.302
DAV-CRI-3fe943ba-1
0.302
DAV-CRI-3fe943ba-2
0.299
TAM-UNI-d1c3dd9f-7
0.297
TAM-UNI-d1c3dd9f-8
0.296
TAM-UNI-d1c3dd9f-11
0.293
DAR-DIA-caba39e3-9
0.292
DAR-DIA-caba39e3-7
0.291
DAR-DIA-caba39e3-8
0.291
TAM-UNI-d1c3dd9f-10
0.287
MAK-UNK-702fb7d3-14
0.286
SAL-INS-1c7a5a55-5
0.283
DOU-UNK-b5326f8f-14
0.274
DAR-DIA-caba39e3-6
0.274
DAR-DIA-caba39e3-3
0.273
MIH-UNI-e573136b-13
0.273
DAV-CRI-1c77f7a9-2
0.271
MAK-UNK-702fb7d3-13
0.268
DAR-DIA-caba39e3-4
0.267
DAR-DIA-caba39e3-12
0.267
JAV-UNI-4503e1e6-1
0.267
JOH-MSK-2d8052dc-1
0.265
DAV-CRI-f4772df7-1
0.264
DAR-DIA-caba39e3-5
0.263
MIH-UNI-e573136b-11
0.263
MAK-UNK-702fb7d3-9
0.259
DAV-CRI-1c77f7a9-1
0.259
DAR-DIA-caba39e3-13
0.258
RAV-REL-e0cd5b56-1
0.257
DAV-CRI-1c77f7a9-7
0.257
MAT-UNK-673d6610-1
0.257
DAR-DIA-caba39e3-11
0.256
NIR-THE-c331be7a-3
0.256
DAV-CRI-1c77f7a9-3
0.255
AAR-UNI-c25c2f1e-50
0.252
DAV-CRI-b7083e67-1
0.252
DAV-CRI-1c77f7a9-6
0.250
HEI-REL-0c990a45-6
0.250
JAN-LUN-04aedcc0-6
0.248
SEA-TRI-078a8df3-1
0.248
MAT-POS-7174c657-3
0.245
MAR-TRE-8190bb11-82
0.245
MAK-UNK-702fb7d3-10
0.243
EDJ-MED-54fbebd8-2
0.241
BEN-DND-fa51d92c-10
0.240