Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(C(=O)Oc2cccc(N3CCCC3=O)c2)c1 |
MW: | 374.418 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 92.78 |
cLogP: | 2.4041 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-311-757 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-27 |
phenol ester
Ester
Hetero_hetero
Phenylester
LON-WEI-8f408cad-1
MAK-UNK-10dfa458-23
0.766
MAK-UNK-9159f8ed-5
0.639
MAK-UNK-9159f8ed-4
0.609
MAK-UNK-1e8f9e3c-1
0.585
MAK-UNK-9159f8ed-6
0.585
MAK-UNK-9159f8ed-3
0.573
MAK-UNK-c8c8f7e2-1
0.542
MAK-UNK-9159f8ed-2
0.528
MAK-UNK-1e8f9e3c-6
0.523
MAK-UNK-9159f8ed-1
0.511
MAK-UNK-10dfa458-32
0.469
MAK-UNK-6435e6c2-7
0.465
AAR-POS-0daf6b7e-31
0.465
MAK-UNK-10dfa458-25
0.441
MAK-UNK-6435e6c2-4
0.429
MAK-UNK-c8c8f7e2-16
0.407
MAK-UNK-7a704a63-8
0.405
MAK-UNK-c8c8f7e2-15
0.405
MAK-UNK-7a704a63-9
0.402
MAK-UNK-10dfa458-22
0.402
MAK-UNK-1e8f9e3c-2
0.400
MAK-UNK-c8c8f7e2-17
0.393
MAK-UNK-1e8f9e3c-3
0.387
AAR-POS-0daf6b7e-11
0.386
MAK-UNK-7a704a63-10
0.386
MAK-UNK-10dfa458-3
0.386
LON-WEI-8f408cad-1
0.386
MAK-UNK-902cc841-11
0.381
MAK-UNK-c8c8f7e2-18
0.372
MAK-UNK-c8c8f7e2-20
0.370
MAK-UNK-c8c8f7e2-2
0.366
MAK-UNK-c8c8f7e2-3
0.366
MAK-UNK-c8c8f7e2-4
0.366
MAK-UNK-7a704a63-11
0.366
MAK-UNK-c8c8f7e2-8
0.360
MAK-UNK-c8c8f7e2-5
0.360
MAK-UNK-902cc841-13
0.356
MAK-UNK-c8c8f7e2-6
0.349
MAR-TRE-2fd8122f-39
0.347
MAK-UNK-c8c8f7e2-34
0.345
MAK-UNK-c8c8f7e2-33
0.345
MAK-UNK-1e8f9e3c-5
0.344
MAK-UNK-7a704a63-23
0.341
MAK-UNK-c8c8f7e2-7
0.341
MAR-TRE-799db12b-49
0.340
MAK-UNK-7a704a63-24
0.337
MAK-UNK-c8c8f7e2-31
0.337
MAK-UNK-1e8f9e3c-4
0.330
MAK-UNK-c8c8f7e2-32
0.330
AAR-UNI-c25c2f1e-61
0.327
MAK-UNK-902cc841-3
0.327
MAK-UNK-7a704a63-20
0.321
MAR-TRE-799db12b-69
0.320
MAK-UNK-c8c8f7e2-41
0.318
MAK-UNK-7a704a63-18
0.318
MAK-UNK-902cc841-4
0.317
AAR-UNI-c25c2f1e-103
0.314
MAK-UNK-7a704a63-7
0.314
MAK-UNK-c8c8f7e2-12
0.314
MAK-UNK-902cc841-12
0.307
MAK-UNK-c8c8f7e2-30
0.306
MAK-UNK-7a704a63-17
0.306
MAK-UNK-c8c8f7e2-40
0.306
MAK-UNK-7a704a63-6
0.302
MAK-UNK-c8c8f7e2-11
0.302
MAK-UNK-902cc841-14
0.298
BEN-VAN-5787f7d3-10
0.288
MAR-TRE-fd17a9b8-52
0.287
BAR-COM-0f94fc3d-53
0.286
BEN-VAN-5787f7d3-12
0.284
BEN-VAN-5787f7d3-11
0.283
WIL-UNI-1faa9b10-7
0.283
JON-UIO-d041ac75-4
0.283
JON-UIO-d041ac75-5
0.283
MAK-UNK-c8c8f7e2-38
0.281
COM-UCB-1ef4e90e-23
0.277
JAR-IMP-ed466bb3-18
0.275
MAR-TRE-9d18ae8c-65
0.275
MAR-TRE-799db12b-73
0.274
BEN-VAN-5787f7d3-1
0.274
MAK-UNK-c8c8f7e2-9
0.273
DOU-UNK-b5326f8f-9
0.273
MAK-UNK-7a704a63-4
0.273
WIL-UNI-1faa9b10-2
0.269
MAK-UNK-7a704a63-21
0.267
MAK-UNK-c8c8f7e2-37
0.267
BAR-COM-4e090d3a-60
0.265
MAK-UNK-7a704a63-22
0.264
MAK-UNK-7a704a63-5
0.261
MAK-UNK-c8c8f7e2-10
0.261
MAK-UNK-c8c8f7e2-14
0.261
MAK-UNK-7a704a63-2
0.261
MAK-UNK-7a704a63-19
0.261
MAK-UNK-c8c8f7e2-36
0.261
DAV-CRI-8c8dd668-1
0.261
MAK-UNK-7a704a63-3
0.258
MAK-UNK-c8c8f7e2-43
0.258
MAK-UNK-c8c8f7e2-39
0.258
MAK-UNK-7a704a63-16
0.258
MAK-UNK-c8c8f7e2-13
0.258