Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 |
MW: | 431.47 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 121.88 |
cLogP: | 1.9804 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z201863772 |
MolPort: | MolPort-018-299-530 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-06-01 |
Ester
Hetero_hetero
LON-WEI-8f408cad-1
MAK-UNK-10dfa458-32
0.788
MAK-UNK-9159f8ed-5
0.694
MAK-UNK-1e8f9e3c-1
0.643
MAK-UNK-9159f8ed-6
0.643
MAK-UNK-9159f8ed-1
0.633
MAK-UNK-9159f8ed-7
0.609
MAK-UNK-9159f8ed-2
0.582
MAK-UNK-9159f8ed-3
0.575
MAK-UNK-7a704a63-9
0.537
MAK-UNK-7a704a63-10
0.519
AAR-POS-0daf6b7e-11
0.519
LON-WEI-8f408cad-1
0.519
MAK-UNK-10dfa458-25
0.495
MAK-UNK-6435e6c2-4
0.494
MAK-UNK-1e8f9e3c-3
0.489
MAK-UNK-7a704a63-8
0.487
MAK-UNK-c8c8f7e2-15
0.487
MAK-UNK-c8c8f7e2-17
0.471
MAK-UNK-c8c8f7e2-16
0.470
MAK-UNK-10dfa458-23
0.469
MAK-UNK-10dfa458-22
0.464
MAK-UNK-1e8f9e3c-2
0.454
MAK-UNK-c8c8f7e2-18
0.448
MAK-UNK-10dfa458-3
0.447
MAK-UNK-1e8f9e3c-5
0.442
MAK-UNK-1e8f9e3c-4
0.424
AAR-POS-0daf6b7e-31
0.418
MAK-UNK-6435e6c2-7
0.418
AAR-UNI-c25c2f1e-61
0.392
MAK-UNK-902cc841-4
0.381
MAK-UNK-902cc841-3
0.379
MAK-UNK-1e8f9e3c-6
0.376
MAK-UNK-c8c8f7e2-30
0.368
MAR-TRE-2fd8122f-39
0.360
MAK-UNK-902cc841-13
0.355
MAK-UNK-902cc841-11
0.352
MAK-UNK-c8c8f7e2-20
0.352
MAK-UNK-7a704a63-20
0.352
MAK-UNK-c8c8f7e2-1
0.352
WIL-UNI-1faa9b10-16
0.351
MAR-TRE-3e4e6814-63
0.350
MAK-UNK-c8c8f7e2-3
0.348
MAK-UNK-c8c8f7e2-33
0.344
MAK-UNK-c8c8f7e2-5
0.344
BAR-COM-0f94fc3d-53
0.336
MAK-UNK-7a704a63-11
0.333
MAK-UNK-c8c8f7e2-6
0.333
MAK-UNK-c8c8f7e2-4
0.333
MAK-UNK-c8c8f7e2-2
0.333
MAK-UNK-c8c8f7e2-8
0.330
MAK-UNK-c8c8f7e2-12
0.330
MAK-UNK-7a704a63-7
0.330
MAK-UNK-c8c8f7e2-34
0.330
MAK-UNK-c8c8f7e2-7
0.326
MAK-UNK-7a704a63-23
0.326
MAK-UNK-7a704a63-3
0.319
MAK-UNK-c8c8f7e2-13
0.319
BAR-COM-4e090d3a-60
0.317
MAK-UNK-c8c8f7e2-32
0.316
MAR-TRE-799db12b-49
0.314
BEN-VAN-5787f7d3-11
0.309
MAK-UNK-c8c8f7e2-31
0.309
MAK-UNK-7a704a63-24
0.309
MAK-UNK-7a704a63-2
0.308
MAR-TRE-799db12b-69
0.308
MAK-UNK-c8c8f7e2-40
0.308
MAK-UNK-7a704a63-17
0.308
MAK-UNK-c8c8f7e2-14
0.308
MAK-UNK-7a704a63-18
0.304
MAK-UNK-c8c8f7e2-11
0.304
MAK-UNK-c8c8f7e2-43
0.304
MAK-UNK-7a704a63-6
0.304
MAK-UNK-c8c8f7e2-41
0.304
AAR-UNI-c25c2f1e-103
0.304
MAK-UNK-c8c8f7e2-42
0.301
BEN-VAN-5787f7d3-12
0.298
MAK-UNK-c8c8f7e2-10
0.293
MAK-UNK-7a704a63-5
0.293
SWA-SYN-d2e6fa14-10
0.292
IND-SYN-6c8299e8-8
0.292
SWA-SYN-6423ea73-9
0.292
MAR-TRE-a9136c7b-57
0.288
MAK-UNK-902cc841-14
0.288
MAK-UNK-902cc841-12
0.284
UNK-CYC-68f84b31-46
0.281
DAN-MCD-0742953f-1
0.281
JAN-GHE-1d98ec1c-7
0.277
MAR-TRE-fd17a9b8-52
0.277
LON-WEI-b8d98729-4
0.277
MAK-UNK-c8c8f7e2-9
0.277
MAK-UNK-7a704a63-16
0.277
MAK-UNK-7a704a63-4
0.277
MAK-UNK-c8c8f7e2-39
0.277
MAR-TRE-67513f76-4
0.276
MAK-UNK-c8c8f7e2-25
0.276
UNK-CYC-68f84b31-24
0.274
MAK-UNK-c8c8f7e2-21
0.274
WIL-UNI-1faa9b10-7
0.274
WIL-UNI-1faa9b10-2
0.273
SWA-SYN-6423ea73-8
0.271