Molecular Properties | |
SMILES: | CN(CCC(N)=O)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1 |
MW: | 365.433 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 1.4945 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z2314958464 |
Enamine Extended REAL: | s_271949____10832808____10844724 |
MolPort: | MolPort-047-469-638 |
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-aaaed2d6-5
0.730
REN-UFA-aaaed2d6-2
0.632
REN-UFA-aaaed2d6-3
0.584
AAR-POS-0daf6b7e-14
0.520
REN-UFA-aaaed2d6-1
0.506
JAR-IMP-ed466bb3-13
0.476
JAR-IMP-ed466bb3-8
0.476
JAR-IMP-ed466bb3-4
0.452
SAD-SAT-1f400d17-9
0.443
JAR-IMP-ed466bb3-7
0.443
JAR-IMP-ed466bb3-3
0.438
RAI-NOV-2f6a9876-6
0.438
REN-UFA-aaaed2d6-4
0.435
RAI-NOV-a7d52b4a-2
0.432
RAI-NOV-a7d52b4a-4
0.421
JAR-IMP-ed466bb3-12
0.416
RAI-NOV-a7d52b4a-5
0.415
JAR-IMP-ed466bb3-6
0.394
JAR-IMP-ed466bb3-1
0.392
JAR-IMP-ed466bb3-14
0.391
JAR-IMP-ed466bb3-2
0.380
MIH-UNI-e573136b-10
0.379
SAL-INS-1c7a5a55-1
0.379
NIR-THE-c331be7a-6
0.375
NIR-THE-c331be7a-1
0.375
WAR-XCH-b72a1bbc-22
0.371
NIR-THE-c331be7a-2
0.367
DAR-DIA-caba39e3-1
0.360
NIR-THE-c331be7a-4
0.360
MIH-UNI-e573136b-9
0.360
DAR-DIA-caba39e3-2
0.359
MAK-UNK-702fb7d3-17
0.355
JAR-IMP-ed466bb3-16
0.355
WAR-XCH-b72a1bbc-13
0.354
RAI-NOV-a7d52b4a-3
0.354
JAR-IMP-ed466bb3-9
0.351
MIH-UNI-e573136b-15
0.347
THO-SYG-4e0386bb-1
0.341
TAM-UNI-d1c3dd9f-3
0.340
MIH-UNI-e573136b-12
0.340
NIR-THE-c331be7a-5
0.340
MAK-UNK-702fb7d3-1
0.339
MAK-UNK-702fb7d3-18
0.339
DAV-SYG-f22c749d-4
0.339
SAL-INS-1c7a5a55-5
0.333
SAL-INS-1c7a5a55-2
0.333
MAK-UNK-702fb7d3-21
0.333
DAV-CRI-3fe943ba-1
0.327
JAR-IMP-ed466bb3-17
0.327
DAV-CRI-3fe943ba-2
0.324
TAM-UNI-d1c3dd9f-10
0.324
DAV-SYG-f22c749d-5
0.323
MAK-UNK-702fb7d3-19
0.323
MAK-UNK-702fb7d3-20
0.323
TAM-UNI-d1c3dd9f-8
0.320
MAK-UNK-702fb7d3-2
0.317
IND-SYN-6c8299e8-3
0.316
TAM-UNI-d1c3dd9f-11
0.315
RAI-NOV-a7d52b4a-1
0.314
JAR-IMP-ed466bb3-5
0.312
TAM-UNI-d1c3dd9f-7
0.308
MAK-UNK-702fb7d3-3
0.307
DAR-DIA-caba39e3-10
0.303
DAR-DIA-caba39e3-9
0.291
DAR-DIA-caba39e3-7
0.290
DAR-DIA-caba39e3-8
0.290
DOU-UNK-b5326f8f-14
0.284
DAR-DIA-caba39e3-3
0.283
JOH-MSK-2d8052dc-1
0.274
DAR-DIA-caba39e3-6
0.272
MAT-POS-7174c657-3
0.268
RAV-REL-e0cd5b56-2
0.267
MAK-UNK-702fb7d3-14
0.265
NIR-THE-c331be7a-3
0.265
DAR-DIA-caba39e3-4
0.265
DAR-DIA-caba39e3-11
0.265
DAR-DIA-caba39e3-12
0.265
DAR-DIA-caba39e3-5
0.261
MAK-UNK-702fb7d3-13
0.257
DAR-DIA-caba39e3-13
0.256
DAV-CRI-1c77f7a9-7
0.255
EDJ-MED-54fbebd8-4
0.254
JAV-UNI-4503e1e6-1
0.252
DAV-CRI-1c77f7a9-3
0.252
DAV-CRI-f4772df7-1
0.252
DAV-CRI-b7083e67-1
0.250
MAK-UNK-702fb7d3-9
0.248
BEN-DND-fa51d92c-10
0.248
EDJ-MED-54fbebd8-1
0.248
HEI-REL-0c990a45-6
0.248
DAV-CRI-1c77f7a9-6
0.248
MIH-UNI-e573136b-11
0.247
LON-WEI-120e5cf5-5
0.247
JAN-LUN-04aedcc0-6
0.246
BEN-DND-fa51d92c-11
0.246
SCO-VAN-260d9628-2
0.244
BEN-DND-fa51d92c-6
0.244
BEN-DND-fa51d92c-13
0.244
DAV-CRI-8c8dd668-1
0.243
ANT-OPE-7c194559-1
0.242