Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1 |
MW: | 336.2 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 77.81 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LON-WEI-adc59df6-78
LON-WEI-adc59df6-78
0.529
LON-WEI-b8d98729-6
0.359
NIM-UNI-bb9030bf-6
0.354
LON-WEI-adc59df6-103
0.351
LON-WEI-adc59df6-81
0.348
LON-WEI-adc59df6-82
0.347
NIM-UNI-bb9030bf-4
0.346
ERI-UCB-fbdd3ea1-33
0.344
LON-WEI-adc59df6-74
0.340
NIM-UNI-bb9030bf-5
0.338
LON-WEI-b8d98729-23
0.337
ALP-UNI-c3ef0aba-3
0.330
ERI-UCB-fbdd3ea1-30
0.330
ERI-UCB-fbdd3ea1-13
0.330
LON-WEI-adc59df6-72
0.330
RAL-MED-9a5eb9cb-7
0.330
LON-WEI-adc59df6-87
0.327
LON-WEI-8f408cad-8
0.326
JOE-NOR-4e4adc6b-1
0.324
ERI-UCB-fbdd3ea1-31
0.324
LON-WEI-adc59df6-65
0.324
NIM-UNI-bb9030bf-2
0.323
ERI-UCB-fbdd3ea1-14
0.321
ERI-UCB-fbdd3ea1-20
0.320
LON-WEI-adc59df6-73
0.320
LON-WEI-adc59df6-75
0.320
ALP-POS-c59291d4-6
0.320
LON-WEI-adc59df6-80
0.319
NIM-UNI-bb9030bf-3
0.319
NIM-UNI-bb9030bf-15
0.319
PET-UNK-7d68125a-4
0.318
LON-WEI-adc59df6-101
0.316
LON-WEI-adc59df6-91
0.316
LON-WEI-b8d98729-7
0.316
RAL-MED-9a5eb9cb-12
0.316
LON-WEI-adc59df6-70
0.316
ERI-UCB-fbdd3ea1-19
0.316
ERI-UCB-fbdd3ea1-4
0.316
NIM-UNI-bb9030bf-1
0.315
ERI-UCB-fbdd3ea1-32
0.314
LON-WEI-adc59df6-95
0.313
LON-WEI-adc59df6-79
0.313
NIR-WEI-f9286bb6-2
0.312
ERI-UCB-fbdd3ea1-34
0.312
NIM-UNI-bb9030bf-16
0.312
MAR-TRE-2fd8122f-69
0.310
ERI-UCB-fbdd3ea1-12
0.310
LON-WEI-b8d98729-32
0.309
LON-WEI-d1c9908a-1
0.309
ERI-UCB-fbdd3ea1-11
0.309
ERI-UCB-fbdd3ea1-18
0.309
JAN-GHE-d851b096-8
0.309
LON-WEI-adc59df6-88
0.308
ERI-UCB-fbdd3ea1-16
0.307
LON-WEI-b8d98729-10
0.306
LON-WEI-adc59df6-99
0.306
LON-WEI-adc59df6-69
0.306
RAL-MED-9a5eb9cb-14
0.305
LON-WEI-adc59df6-3
0.304
LON-WEI-adc59df6-85
0.304
ALP-POS-02c6a514-33
0.304
ERI-UCB-fbdd3ea1-15
0.303
ALP-POS-95f71980-2
0.303
PET-UNK-7d68125a-2
0.303
PET-UNK-7d68125a-3
0.303
ALP-POS-88a7a97e-18
0.300
LON-WEI-8f408cad-9
0.300
LON-WEI-adc59df6-86
0.300
PET-UNK-7d68125a-1
0.297
ERI-UCB-fbdd3ea1-17
0.297
LON-WEI-adc59df6-96
0.296
LON-WEI-adc59df6-93
0.296
MAK-UNK-2c1752f0-2
0.296
LON-WEI-b8d98729-31
0.295
LON-WEI-adc59df6-84
0.294
NIM-UNI-bb9030bf-14
0.293
NIM-UNI-bb9030bf-11
0.293
NIM-UNI-bb9030bf-13
0.293
ERI-UCB-fbdd3ea1-22
0.293
NIM-UNI-bb9030bf-8
0.293
LON-WEI-adc59df6-97
0.293
LON-WEI-adc59df6-66
0.292
LON-WEI-b8d98729-24
0.291
RAL-MED-9a5eb9cb-6
0.290
ERI-UCB-fbdd3ea1-21
0.290
LON-WEI-b8d98729-47
0.288
LON-WEI-adc59df6-76
0.288
LON-WEI-adc59df6-68
0.288
LON-WEI-adc59df6-92
0.288
ALP-POS-02c6a514-39
0.288
ALP-POS-b0bc6a46-24
0.288
ALP-POS-305f6ec3-59
0.288
LON-WEI-b8d98729-15
0.288
NIM-UNI-bb9030bf-10
0.287
PAU-WEI-5b8d5051-2
0.287
PET-UNK-48ab5cd7-6
0.287
LON-WEI-adc59df6-98
0.286
LON-WEI-adc59df6-100
0.286
ALP-POS-305f6ec3-41
0.286
ERI-UCB-fbdd3ea1-23
0.286