Molecular Properties | |
SMILES: | CC(=O)Oc1cccc(N2CCCC2=O)c1 |
MW: | 219.09 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 46.61 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z109959264 |
Enamine Extended REAL: | s_276436____14076004____14088324 |
Mcule: | MCULE-7984511708 |
phenol ester
Carboxylic acid esters
Ester
Phenylester
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-20
0.552
MAK-UNK-c8c8f7e2-4
0.542
MAK-UNK-9159f8ed-7
0.542
MAK-UNK-6435e6c2-4
0.534
MAK-UNK-1e8f9e3c-6
0.528
MAK-UNK-c8c8f7e2-3
0.517
MAK-UNK-c8c8f7e2-2
0.517
MAK-UNK-7a704a63-11
0.517
MAK-UNK-7a704a63-8
0.500
MAK-UNK-c8c8f7e2-15
0.500
MAK-UNK-10dfa458-23
0.494
MAK-UNK-c8c8f7e2-6
0.484
MAK-UNK-c8c8f7e2-5
0.477
MAK-UNK-c8c8f7e2-8
0.477
MAK-UNK-c8c8f7e2-16
0.476
MAK-UNK-7a704a63-9
0.469
MAK-UNK-c8c8f7e2-34
0.460
MAK-UNK-c8c8f7e2-17
0.455
MAK-UNK-c8c8f7e2-7
0.448
MAK-UNK-7a704a63-10
0.446
AAR-POS-0daf6b7e-11
0.446
MAK-UNK-c8c8f7e2-31
0.446
MAK-UNK-10dfa458-3
0.446
LON-WEI-8f408cad-1
0.446
MAK-UNK-7a704a63-24
0.446
MAK-UNK-10dfa458-22
0.446
MAK-UNK-c8c8f7e2-33
0.438
MAK-UNK-c8c8f7e2-32
0.433
MAK-UNK-7a704a63-23
0.431
MAK-UNK-c8c8f7e2-18
0.426
MAK-UNK-7a704a63-18
0.422
MAK-UNK-c8c8f7e2-41
0.422
MAK-UNK-7a704a63-7
0.415
MAK-UNK-c8c8f7e2-12
0.415
MAR-TRE-2fd8122f-39
0.408
MAK-UNK-9159f8ed-3
0.403
MAK-UNK-7a704a63-17
0.385
MAK-UNK-c8c8f7e2-40
0.385
MAK-UNK-7a704a63-20
0.385
MAK-UNK-9159f8ed-6
0.380
MAK-UNK-1e8f9e3c-1
0.380
MAR-TRE-799db12b-49
0.380
MAK-UNK-7a704a63-6
0.379
MAK-UNK-c8c8f7e2-11
0.379
MAK-UNK-902cc841-3
0.378
MAR-TRE-799db12b-69
0.372
MAK-UNK-9159f8ed-5
0.369
MAK-UNK-9159f8ed-2
0.369
MAK-UNK-1e8f9e3c-3
0.367
MAK-UNK-1e8f9e3c-5
0.367
MAK-UNK-1e8f9e3c-2
0.366
MAK-UNK-902cc841-4
0.365
MAK-UNK-c8c8f7e2-30
0.364
AAR-UNI-c25c2f1e-61
0.361
AAR-UNI-c25c2f1e-103
0.360
MAK-UNK-9159f8ed-1
0.356
BEN-VAN-5787f7d3-11
0.353
MAK-UNK-9159f8ed-4
0.352
DOU-UNK-b5326f8f-9
0.352
MAK-UNK-1e8f9e3c-4
0.349
MAK-UNK-7a704a63-21
0.348
MAK-UNK-c8c8f7e2-37
0.348
BEN-VAN-5787f7d3-10
0.345
MAK-UNK-10dfa458-25
0.345
MAK-UNK-7a704a63-19
0.343
MAK-UNK-c8c8f7e2-36
0.343
MAK-UNK-7a704a63-4
0.338
MAK-UNK-c8c8f7e2-9
0.338
BEN-VAN-5787f7d3-12
0.337
MAK-UNK-c8c8f7e2-38
0.329
BEN-VAN-5787f7d3-1
0.326
MAK-UNK-7a704a63-22
0.324
MAK-UNK-c8c8f7e2-10
0.324
MAK-UNK-7a704a63-5
0.324
MAK-UNK-10dfa458-32
0.323
DAV-CRI-8c8dd668-1
0.322
MAK-UNK-7a704a63-16
0.319
MAK-UNK-c8c8f7e2-39
0.319
MAR-TRE-67513f76-4
0.315
MAR-TRE-9d18ae8c-65
0.313
BAR-COM-0f94fc3d-53
0.310
MAK-UNK-c8c8f7e2-14
0.304
MAK-UNK-7a704a63-2
0.304
MAK-UNK-7a704a63-3
0.300
MAK-UNK-c8c8f7e2-13
0.300
MAK-UNK-c8c8f7e2-43
0.300
COM-UCB-1ef4e90e-23
0.298
MAK-UNK-c8c8f7e2-42
0.296
MAR-TRE-7f7bb9f0-54
0.295
DOU-UNK-b5326f8f-7
0.292
MAR-TRE-7f7bb9f0-31
0.289
JOH-IMS-0f19a540-3
0.286
JOH-IMS-7e73aedd-9
0.286
BAR-COM-4e090d3a-60
0.286
BEN-VAN-5787f7d3-6
0.267
PET-UNK-5eca9d1d-3
0.259
PET-UNK-4dc48bbe-2
0.256
BEN-VAN-5787f7d3-7
0.255
MAK-UNK-7a704a63-1
0.254
MAK-UNK-7a704a63-12
0.250