Molecular Properties | |
SMILES: | CN(C)C/C=C/C(=O)N1Cc2ccccc2C(c2ccccc2)C1 |
MW: | 320.436 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.2785 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_22____2019588____17039346 |
Activated double bonds (2)
vinyl michael acceptor1
AAR-POS-0daf6b7e-14
REN-UFA-aaaed2d6-4
0.654
RAI-NOV-a7d52b4a-2
0.577
REN-UFA-aaaed2d6-3
0.566
REN-UFA-aaaed2d6-2
0.551
AAR-POS-0daf6b7e-14
0.542
JAR-IMP-ed466bb3-8
0.513
RAI-NOV-a7d52b4a-5
0.512
REN-UFA-aaaed2d6-6
0.506
REN-UFA-aaaed2d6-5
0.506
RAI-NOV-a7d52b4a-4
0.500
RAI-NOV-a7d52b4a-3
0.494
SAD-SAT-1f400d17-9
0.494
JAR-IMP-ed466bb3-7
0.476
JAR-IMP-ed466bb3-13
0.476
JAR-IMP-ed466bb3-3
0.453
RAI-NOV-2f6a9876-6
0.437
RAI-NOV-a7d52b4a-1
0.424
NIR-THE-c331be7a-6
0.405
JAR-IMP-ed466bb3-4
0.404
JAR-IMP-ed466bb3-12
0.400
JAR-IMP-ed466bb3-2
0.393
JAR-IMP-ed466bb3-6
0.392
JAR-IMP-ed466bb3-1
0.390
NIR-THE-c331be7a-1
0.388
NIR-THE-c331be7a-2
0.379
MIH-UNI-e573136b-10
0.376
JAR-IMP-ed466bb3-9
0.376
SAL-INS-1c7a5a55-1
0.376
JAR-IMP-ed466bb3-14
0.374
DAR-DIA-caba39e3-1
0.372
DAR-DIA-caba39e3-2
0.371
WAR-XCH-b72a1bbc-22
0.368
JAR-IMP-ed466bb3-16
0.367
NIR-THE-c331be7a-5
0.365
TAM-UNI-d1c3dd9f-3
0.365
MIH-UNI-e573136b-12
0.365
MAK-UNK-702fb7d3-17
0.353
THO-SYG-4e0386bb-1
0.352
MIH-UNI-e573136b-15
0.344
SAL-INS-1c7a5a55-2
0.343
WAR-XCH-b72a1bbc-13
0.337
JAR-IMP-ed466bb3-17
0.337
DAV-SYG-f22c749d-4
0.336
JAR-IMP-ed466bb3-5
0.333
TAM-UNI-d1c3dd9f-8
0.330
NIR-THE-c331be7a-4
0.326
MIH-UNI-e573136b-9
0.326
MAK-UNK-702fb7d3-1
0.325
MAK-UNK-702fb7d3-18
0.325
DAV-CRI-3fe943ba-1
0.323
DAV-CRI-3fe943ba-2
0.320
MAK-UNK-702fb7d3-20
0.320
MAK-UNK-702fb7d3-21
0.320
MAK-UNK-702fb7d3-19
0.320
TAM-UNI-d1c3dd9f-7
0.317
MAK-UNK-702fb7d3-3
0.315
MAK-UNK-702fb7d3-2
0.315
TAM-UNI-d1c3dd9f-11
0.312
DAV-SYG-f22c749d-5
0.310
DAR-DIA-caba39e3-3
0.304
SAL-INS-1c7a5a55-5
0.303
DAR-DIA-caba39e3-9
0.300
DAR-DIA-caba39e3-10
0.299
IND-SYN-6c8299e8-3
0.299
DAR-DIA-caba39e3-7
0.299
DAR-DIA-caba39e3-8
0.299
TAM-UNI-d1c3dd9f-10
0.294
JOH-MSK-2d8052dc-1
0.294
DOU-UNK-b5326f8f-14
0.293
DAR-DIA-caba39e3-6
0.291
DAR-DIA-caba39e3-4
0.283
MIH-UNI-e573136b-11
0.283
DAR-DIA-caba39e3-5
0.279
RAV-REL-e0cd5b56-1
0.276
JAV-UNI-4503e1e6-1
0.273
DAR-DIA-caba39e3-12
0.272
MAK-UNK-702fb7d3-14
0.271
DAV-CRI-f4772df7-1
0.270
DAV-CRI-b7083e67-1
0.269
DAV-CRI-1c77f7a9-1
0.265
MAT-POS-7174c657-3
0.263
DAR-DIA-caba39e3-13
0.263
DAV-CRI-8c8dd668-1
0.262
NIR-THE-c331be7a-3
0.261
DAR-DIA-caba39e3-11
0.261
MIH-UNI-e573136b-13
0.255
HEI-REL-0c990a45-6
0.255
DAV-CRI-f4772df7-3
0.254
MAK-UNK-702fb7d3-13
0.254
MAR-TRE-6a44bbf2-99
0.253
SEA-TRI-078a8df3-1
0.252
JAN-LUN-04aedcc0-6
0.252
RAV-REL-e0cd5b56-2
0.250
DAV-CRI-1c77f7a9-7
0.250
DAV-CRI-f4772df7-2
0.248
DAV-CRI-1c77f7a9-3
0.248
MAK-UNK-702fb7d3-9
0.244
DRA-CSI-47e38074-2
0.244
DAV-CRI-1c77f7a9-6
0.243
MIH-UNI-e573136b-14
0.241