Molecular Properties | |
SMILES: | N#CC(=O)Nc1cccc(N2CCCC2=O)c1 |
MW: | 229.09 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 73.2 |
cLogP: | 1.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Cyano carbonyl compounds
N-C-Hal or cyano methyl
acyl_cyanide
LON-WEI-8f408cad-3
MAK-UNK-6435e6c2-4
0.691
MAK-UNK-c8c8f7e2-15
0.679
MAK-UNK-7a704a63-8
0.679
MAK-UNK-c8c8f7e2-16
0.644
MAK-UNK-7a704a63-10
0.633
MAK-UNK-10dfa458-3
0.633
MAK-UNK-7a704a63-9
0.633
AAR-POS-0daf6b7e-11
0.633
LON-WEI-8f408cad-1
0.633
MAK-UNK-c8c8f7e2-17
0.613
MAK-UNK-c8c8f7e2-18
0.603
MAK-UNK-10dfa458-25
0.539
MAK-UNK-1e8f9e3c-5
0.514
MAK-UNK-1e8f9e3c-3
0.514
MAK-UNK-9159f8ed-6
0.507
MAK-UNK-1e8f9e3c-1
0.507
MAK-UNK-1e8f9e3c-4
0.506
MAK-UNK-10dfa458-32
0.494
MAK-UNK-9159f8ed-2
0.487
MAK-UNK-9159f8ed-5
0.487
MAK-UNK-1e8f9e3c-2
0.487
MAK-UNK-902cc841-3
0.481
MAK-UNK-9159f8ed-3
0.474
MAK-UNK-9159f8ed-1
0.470
MAK-UNK-c8c8f7e2-30
0.469
MAK-UNK-9159f8ed-4
0.464
MAK-UNK-902cc841-4
0.463
MAK-UNK-c8c8f7e2-4
0.462
MAK-UNK-c8c8f7e2-34
0.455
MAK-UNK-c8c8f7e2-1
0.446
MAK-UNK-c8c8f7e2-20
0.446
AAR-UNI-c25c2f1e-61
0.444
MAK-UNK-7a704a63-11
0.439
MAK-UNK-c8c8f7e2-3
0.439
MAK-UNK-c8c8f7e2-2
0.439
MAK-UNK-c8c8f7e2-6
0.435
MAK-UNK-10dfa458-23
0.434
MAR-TRE-2fd8122f-39
0.423
BAR-COM-0f94fc3d-53
0.422
MAK-UNK-7a704a63-18
0.418
MAK-UNK-c8c8f7e2-41
0.418
MAK-UNK-7a704a63-7
0.412
MAK-UNK-c8c8f7e2-12
0.412
MAK-UNK-c8c8f7e2-5
0.408
MAK-UNK-c8c8f7e2-32
0.408
MAK-UNK-c8c8f7e2-14
0.403
MAK-UNK-7a704a63-2
0.403
MAK-UNK-7a704a63-20
0.403
MAK-UNK-c8c8f7e2-7
0.403
MAK-UNK-9159f8ed-7
0.402
BAR-COM-4e090d3a-60
0.400
MAK-UNK-c8c8f7e2-43
0.397
MAK-UNK-7a704a63-6
0.397
MAK-UNK-7a704a63-3
0.397
MAK-UNK-c8c8f7e2-11
0.397
MAK-UNK-c8c8f7e2-13
0.397
MAK-UNK-c8c8f7e2-33
0.391
MAK-UNK-c8c8f7e2-42
0.391
MAK-UNK-1e8f9e3c-6
0.390
MAK-UNK-c8c8f7e2-8
0.389
MAK-UNK-7a704a63-23
0.386
MAK-UNK-c8c8f7e2-40
0.382
MAK-UNK-7a704a63-17
0.382
MAK-UNK-c8c8f7e2-31
0.380
MAK-UNK-7a704a63-24
0.380
MAR-TRE-799db12b-49
0.378
MAR-TRE-799db12b-69
0.370
MAR-TRE-a9136c7b-57
0.362
MAK-UNK-7a704a63-5
0.362
MAK-UNK-c8c8f7e2-10
0.362
MAK-UNK-c8c8f7e2-39
0.357
MAK-UNK-7a704a63-16
0.357
MAK-UNK-c8c8f7e2-44
0.352
MAK-UNK-7a704a63-22
0.342
DOU-UNK-b5326f8f-9
0.337
MAR-TRE-67513f76-4
0.333
MAK-UNK-c8c8f7e2-21
0.333
AAR-UNI-c25c2f1e-103
0.330
MAK-UNK-7a704a63-21
0.329
MAK-UNK-c8c8f7e2-37
0.329
MAK-UNK-c8c8f7e2-38
0.329
MAK-UNK-7a704a63-1
0.329
MAK-UNK-c8c8f7e2-26
0.324
MAK-UNK-7a704a63-19
0.324
MAK-UNK-7a704a63-13
0.324
MAK-UNK-7a704a63-12
0.324
MAK-UNK-c8c8f7e2-36
0.324
BEN-VAN-5787f7d3-11
0.322
MAK-UNK-c8c8f7e2-29
0.320
MAK-UNK-c8c8f7e2-9
0.319
MAK-UNK-7a704a63-4
0.319
MAK-UNK-c8c8f7e2-25
0.316
BEN-VAN-5787f7d3-10
0.315
MAR-TRE-9d18ae8c-65
0.314
MAR-TRE-7f7bb9f0-54
0.312
DAV-CRI-8c8dd668-1
0.309
BEN-VAN-5787f7d3-12
0.309
MAR-TRE-7f7bb9f0-31
0.306
UNK-CYC-68f84b31-13
0.305
MAR-TRE-a9136c7b-42
0.305