Molecular Properties | |
SMILES: | CNCCN(C)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1 |
MW: | 351.45 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.65 |
cLogP: | 1.8385 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z2377567082 |
Enamine Extended REAL: | s_273498____11311876____11340346 |
MolPort: | MolPort-047-469-776 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Long aliphatic chain
Oxalyl
AAR-POS-0daf6b7e-14
REN-UFA-aaaed2d6-6
0.730
REN-UFA-aaaed2d6-2
0.590
REN-UFA-aaaed2d6-3
0.584
AAR-POS-0daf6b7e-14
0.541
REN-UFA-aaaed2d6-1
0.506
JAR-IMP-ed466bb3-8
0.476
JAR-IMP-ed466bb3-13
0.459
JAR-IMP-ed466bb3-4
0.452
JAR-IMP-ed466bb3-7
0.443
SAD-SAT-1f400d17-9
0.443
JAR-IMP-ed466bb3-3
0.438
REN-UFA-aaaed2d6-4
0.435
RAI-NOV-a7d52b4a-2
0.432
RAI-NOV-2f6a9876-6
0.422
JAR-IMP-ed466bb3-1
0.406
JAR-IMP-ed466bb3-12
0.402
RAI-NOV-a7d52b4a-5
0.400
JAR-IMP-ed466bb3-2
0.396
SAL-INS-1c7a5a55-1
0.394
RAI-NOV-a7d52b4a-4
0.392
NIR-THE-c331be7a-6
0.391
JAR-IMP-ed466bb3-16
0.385
JAR-IMP-ed466bb3-6
0.381
MIH-UNI-e573136b-10
0.379
MIH-UNI-e573136b-15
0.376
JAR-IMP-ed466bb3-14
0.376
NIR-THE-c331be7a-1
0.375
DAR-DIA-caba39e3-1
0.375
DAR-DIA-caba39e3-2
0.374
WAR-XCH-b72a1bbc-22
0.371
RAI-NOV-a7d52b4a-3
0.368
MAK-UNK-702fb7d3-17
0.367
NIR-THE-c331be7a-2
0.367
JAR-IMP-ed466bb3-9
0.365
DAV-SYG-f22c749d-4
0.360
THO-SYG-4e0386bb-1
0.356
MAK-UNK-702fb7d3-21
0.355
WAR-XCH-b72a1bbc-13
0.354
TAM-UNI-d1c3dd9f-10
0.350
MAK-UNK-702fb7d3-1
0.350
SAL-INS-1c7a5a55-2
0.346
NIR-THE-c331be7a-4
0.344
MIH-UNI-e573136b-9
0.344
MAK-UNK-702fb7d3-19
0.344
MAK-UNK-702fb7d3-20
0.344
DAV-SYG-f22c749d-5
0.344
NIR-THE-c331be7a-5
0.340
JAR-IMP-ed466bb3-17
0.340
TAM-UNI-d1c3dd9f-3
0.340
MIH-UNI-e573136b-12
0.340
MAK-UNK-702fb7d3-18
0.339
JAR-IMP-ed466bb3-5
0.336
TAM-UNI-d1c3dd9f-7
0.333
TAM-UNI-d1c3dd9f-8
0.333
MAK-UNK-702fb7d3-2
0.328
MAK-UNK-702fb7d3-3
0.328
TAM-UNI-d1c3dd9f-11
0.327
DAV-CRI-3fe943ba-1
0.327
DAV-CRI-3fe943ba-2
0.324
SAL-INS-1c7a5a55-5
0.320
DAR-DIA-caba39e3-9
0.317
DAR-DIA-caba39e3-7
0.316
DAR-DIA-caba39e3-8
0.316
DAR-DIA-caba39e3-10
0.315
RAI-NOV-a7d52b4a-1
0.314
JOH-MSK-2d8052dc-1
0.309
DAR-DIA-caba39e3-6
0.306
IND-SYN-6c8299e8-3
0.303
NIR-THE-c331be7a-3
0.298
DAR-DIA-caba39e3-4
0.298
DAR-DIA-caba39e3-11
0.298
DAR-DIA-caba39e3-3
0.295
DAR-DIA-caba39e3-5
0.295
MAK-UNK-702fb7d3-14
0.285
DOU-UNK-b5326f8f-14
0.284
MAT-POS-7174c657-3
0.281
DAV-CRI-1c77f7a9-7
0.279
DAR-DIA-caba39e3-13
0.278
JAN-LUN-04aedcc0-6
0.276
MAK-UNK-702fb7d3-13
0.276
DAR-DIA-caba39e3-12
0.276
DAV-CRI-1c77f7a9-6
0.271
RAV-REL-e0cd5b56-2
0.267
MAK-UNK-702fb7d3-9
0.267
DAV-CRI-1c77f7a9-3
0.264
DAV-CRI-f4772df7-1
0.263
DAV-CRI-b7083e67-1
0.261
MIH-UNI-e573136b-11
0.260
MIH-UNI-e573136b-13
0.259
BEN-DND-fa51d92c-10
0.258
MAK-UNK-df1a028e-7
0.258
DAV-CRI-1c77f7a9-2
0.257
BEN-DND-fa51d92c-11
0.256
ANT-OPE-7c194559-1
0.256
MAT-UNK-673d6610-1
0.255
JAV-UNI-4503e1e6-1
0.252
MAK-UNK-702fb7d3-10
0.250
LON-WEI-b2874fec-26
0.250
BEN-DND-fa51d92c-17
0.250
DAV-CRI-f4772df7-3
0.248