Molecular Properties | |
SMILES: | CNC(=O)Nc1cccc(N2CCCC2=O)c1 |
MW: | 233.12 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 61.44 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-9391596983 |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-17
0.737
MAK-UNK-6435e6c2-4
0.736
MAK-UNK-c8c8f7e2-18
0.695
MAK-UNK-7a704a63-8
0.691
MAK-UNK-c8c8f7e2-15
0.691
MAK-UNK-7a704a63-9
0.672
LON-WEI-8f408cad-1
0.644
AAR-POS-0daf6b7e-11
0.644
MAK-UNK-7a704a63-10
0.644
MAK-UNK-10dfa458-3
0.644
MAK-UNK-10dfa458-22
0.644
MAK-UNK-9159f8ed-6
0.534
MAK-UNK-1e8f9e3c-1
0.534
MAK-UNK-1e8f9e3c-2
0.533
MAK-UNK-1e8f9e3c-3
0.521
MAK-UNK-1e8f9e3c-5
0.521
MAK-UNK-902cc841-3
0.506
MAK-UNK-c8c8f7e2-30
0.500
BAR-COM-0f94fc3d-53
0.500
MAK-UNK-9159f8ed-2
0.494
MAK-UNK-9159f8ed-5
0.494
MAK-UNK-1e8f9e3c-4
0.494
MAK-UNK-902cc841-4
0.487
MAK-UNK-10dfa458-25
0.487
MAK-UNK-9159f8ed-3
0.480
BAR-COM-4e090d3a-60
0.480
MAK-UNK-c8c8f7e2-20
0.476
MAK-UNK-c8c8f7e2-1
0.476
MAK-UNK-9159f8ed-1
0.476
MAK-UNK-9159f8ed-4
0.470
MAK-UNK-c8c8f7e2-2
0.469
MAK-UNK-c8c8f7e2-4
0.469
MAK-UNK-c8c8f7e2-3
0.469
MAK-UNK-7a704a63-11
0.469
AAR-UNI-c25c2f1e-61
0.468
MAK-UNK-c8c8f7e2-13
0.446
MAK-UNK-7a704a63-3
0.446
MAK-UNK-c8c8f7e2-6
0.441
MAK-UNK-c8c8f7e2-34
0.439
MAK-UNK-c8c8f7e2-5
0.435
MAK-UNK-c8c8f7e2-8
0.435
MAK-UNK-10dfa458-32
0.432
MAK-UNK-7a704a63-2
0.431
MAK-UNK-c8c8f7e2-14
0.431
MAK-UNK-c8c8f7e2-7
0.429
MAR-TRE-2fd8122f-39
0.429
MAK-UNK-c8c8f7e2-31
0.426
MAK-UNK-c8c8f7e2-41
0.424
MAK-UNK-c8c8f7e2-11
0.424
MAK-UNK-c8c8f7e2-43
0.424
MAK-UNK-7a704a63-6
0.424
MAK-UNK-7a704a63-18
0.424
MAK-UNK-c8c8f7e2-12
0.418
MAK-UNK-7a704a63-7
0.418
MAK-UNK-c8c8f7e2-33
0.418
MAK-UNK-c8c8f7e2-42
0.418
MAK-UNK-7a704a63-23
0.412
MAK-UNK-c8c8f7e2-40
0.409
MAK-UNK-7a704a63-20
0.409
MAK-UNK-7a704a63-17
0.409
MAK-UNK-9159f8ed-7
0.407
MAK-UNK-7a704a63-24
0.406
MAK-UNK-1e8f9e3c-6
0.395
MAK-UNK-c8c8f7e2-32
0.394
MAK-UNK-c8c8f7e2-10
0.388
MAK-UNK-7a704a63-5
0.388
MAR-TRE-a9136c7b-57
0.385
MAR-TRE-799db12b-49
0.383
MAR-TRE-799db12b-69
0.375
MAK-UNK-10dfa458-23
0.372
DOU-UNK-b5326f8f-9
0.371
MAK-UNK-7a704a63-16
0.362
MAK-UNK-c8c8f7e2-39
0.362
MAK-UNK-c8c8f7e2-21
0.357
MAK-UNK-c8c8f7e2-44
0.357
MAR-TRE-67513f76-4
0.356
MAK-UNK-7a704a63-1
0.353
MAK-UNK-7a704a63-21
0.352
MAK-UNK-c8c8f7e2-38
0.352
MAK-UNK-c8c8f7e2-37
0.352
AAR-UNI-c25c2f1e-103
0.348
MAK-UNK-7a704a63-13
0.348
MAK-UNK-7a704a63-19
0.348
MAK-UNK-c8c8f7e2-36
0.348
MAK-UNK-c8c8f7e2-26
0.348
MAK-UNK-7a704a63-12
0.348
MAK-UNK-7a704a63-22
0.347
MAK-UNK-7a704a63-4
0.343
MAK-UNK-c8c8f7e2-9
0.343
BEN-VAN-5787f7d3-11
0.341
MAK-UNK-c8c8f7e2-25
0.338
BEN-VAN-5787f7d3-10
0.333
BEN-VAN-5787f7d3-12
0.326
MAK-UNK-c8c8f7e2-22
0.324
MAK-UNK-c8c8f7e2-24
0.324
MAK-UNK-7a704a63-14
0.324
MAK-UNK-c8c8f7e2-28
0.324
MAK-UNK-c8c8f7e2-29
0.324
MAK-UNK-c8c8f7e2-27
0.324
MAK-UNK-c8c8f7e2-23
0.320