Molecular Properties | |
SMILES: | NC(=O)Nc1cccc(N2CCCC2=O)c1 |
MW: | 219.1 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 75.43 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-4529777732 |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-15
1.000
MAK-UNK-6435e6c2-4
0.780
MAK-UNK-c8c8f7e2-16
0.691
MAK-UNK-7a704a63-9
0.679
MAK-UNK-10dfa458-3
0.679
AAR-POS-0daf6b7e-11
0.679
MAK-UNK-7a704a63-10
0.679
LON-WEI-8f408cad-1
0.679
MAK-UNK-10dfa458-22
0.679
MAK-UNK-c8c8f7e2-17
0.655
MAK-UNK-c8c8f7e2-18
0.644
MAK-UNK-1e8f9e3c-5
0.543
MAK-UNK-1e8f9e3c-3
0.543
MAK-UNK-9159f8ed-6
0.535
MAK-UNK-1e8f9e3c-1
0.535
MAK-UNK-902cc841-3
0.527
MAK-UNK-c8c8f7e2-30
0.525
MAK-UNK-1e8f9e3c-2
0.514
MAK-UNK-1e8f9e3c-4
0.514
MAK-UNK-10dfa458-25
0.507
MAK-UNK-902cc841-4
0.506
MAK-UNK-c8c8f7e2-20
0.500
MAK-UNK-c8c8f7e2-1
0.500
MAK-UNK-9159f8ed-5
0.494
MAK-UNK-9159f8ed-2
0.494
MAK-UNK-c8c8f7e2-3
0.492
MAK-UNK-c8c8f7e2-2
0.492
MAK-UNK-c8c8f7e2-4
0.492
MAK-UNK-7a704a63-11
0.492
MAK-UNK-9159f8ed-4
0.487
MAK-UNK-9159f8ed-3
0.479
MAK-UNK-9159f8ed-1
0.475
AAR-UNI-c25c2f1e-61
0.468
MAK-UNK-10dfa458-32
0.464
MAK-UNK-c8c8f7e2-6
0.462
MAK-UNK-c8c8f7e2-34
0.460
MAK-UNK-7a704a63-7
0.460
MAK-UNK-c8c8f7e2-12
0.460
MAK-UNK-c8c8f7e2-5
0.455
MAK-UNK-c8c8f7e2-14
0.452
MAK-UNK-7a704a63-2
0.452
MAR-TRE-2fd8122f-39
0.446
MAK-UNK-7a704a63-6
0.444
MAK-UNK-7a704a63-18
0.444
MAK-UNK-c8c8f7e2-41
0.444
MAK-UNK-c8c8f7e2-11
0.444
MAK-UNK-c8c8f7e2-43
0.444
MAK-UNK-7a704a63-3
0.444
MAK-UNK-c8c8f7e2-13
0.444
BAR-COM-0f94fc3d-53
0.443
BAR-COM-4e090d3a-60
0.440
MAK-UNK-c8c8f7e2-42
0.438
MAK-UNK-c8c8f7e2-33
0.438
MAK-UNK-c8c8f7e2-8
0.433
MAK-UNK-7a704a63-23
0.431
MAK-UNK-c8c8f7e2-40
0.429
MAK-UNK-7a704a63-20
0.429
MAK-UNK-7a704a63-17
0.429
MAK-UNK-c8c8f7e2-7
0.426
MAK-UNK-7a704a63-24
0.424
MAK-UNK-c8c8f7e2-32
0.412
MAK-UNK-1e8f9e3c-6
0.410
MAK-UNK-7a704a63-5
0.406
MAK-UNK-c8c8f7e2-10
0.406
MAK-UNK-9159f8ed-7
0.405
MAK-UNK-c8c8f7e2-31
0.403
MAR-TRE-799db12b-69
0.390
MAK-UNK-10dfa458-23
0.386
MAR-TRE-a9136c7b-57
0.382
MAR-TRE-799db12b-49
0.380
MAK-UNK-c8c8f7e2-39
0.379
MAK-UNK-7a704a63-16
0.379
AAR-UNI-c25c2f1e-103
0.376
MAK-UNK-c8c8f7e2-21
0.373
MAK-UNK-c8c8f7e2-44
0.373
MAR-TRE-67513f76-4
0.371
MAK-UNK-7a704a63-1
0.369
MAK-UNK-c8c8f7e2-38
0.368
MAK-UNK-c8c8f7e2-37
0.368
MAK-UNK-7a704a63-21
0.368
MAK-UNK-c8c8f7e2-26
0.364
MAK-UNK-7a704a63-13
0.364
MAK-UNK-7a704a63-19
0.364
MAK-UNK-7a704a63-12
0.364
MAK-UNK-c8c8f7e2-36
0.364
MAK-UNK-7a704a63-22
0.362
MAK-UNK-c8c8f7e2-9
0.358
MAK-UNK-7a704a63-4
0.358
DOU-UNK-b5326f8f-9
0.352
MAK-UNK-c8c8f7e2-25
0.352
MAK-UNK-c8c8f7e2-27
0.338
SWA-SYN-d2e6fa14-10
0.338
SWA-SYN-6423ea73-9
0.338
MAK-UNK-c8c8f7e2-28
0.338
MAK-UNK-c8c8f7e2-29
0.338
IND-SYN-6c8299e8-8
0.338
MAK-UNK-7a704a63-14
0.338
BEN-VAN-5787f7d3-11
0.337
MAK-UNK-7a704a63-15
0.333
BEN-VAN-5787f7d3-10
0.329