Molecular Properties | |
SMILES: | C#Cc1cncc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)c1 |
MW: | 362.433 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 2.6329 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
triple bond
Long aliphatic chain
triple_bond
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-103
0.716
LON-WEI-b8d98729-6
0.642
LON-WEI-adc59df6-80
0.630
JAN-GHE-d851b096-8
0.627
LON-WEI-8f408cad-8
0.625
LON-WEI-adc59df6-79
0.624
LON-WEI-adc59df6-73
0.619
LON-WEI-adc59df6-82
0.619
LON-WEI-adc59df6-87
0.614
LON-WEI-adc59df6-84
0.609
LON-WEI-adc59df6-65
0.607
LON-WEI-b8d98729-7
0.602
ERI-UCB-fbdd3ea1-4
0.602
RAL-MED-9a5eb9cb-12
0.602
LON-WEI-adc59df6-70
0.602
LON-WEI-adc59df6-78
0.602
LON-WEI-adc59df6-101
0.593
LON-WEI-b8d98729-32
0.588
LON-WEI-d1c9908a-1
0.588
LON-WEI-adc59df6-95
0.586
LON-WEI-8f408cad-9
0.586
LON-WEI-b8d98729-10
0.581
LON-WEI-adc59df6-91
0.575
LON-WEI-b8d98729-31
0.565
LON-WEI-adc59df6-68
0.560
LON-WEI-adc59df6-88
0.558
ERI-UCB-fbdd3ea1-13
0.557
LON-WEI-adc59df6-104
0.554
LON-WEI-adc59df6-100
0.554
ERI-UCB-fbdd3ea1-11
0.552
LON-WEI-adc59df6-85
0.549
LON-WEI-adc59df6-81
0.535
LON-WEI-b8d98729-23
0.534
LON-WEI-adc59df6-83
0.532
ERI-UCB-fbdd3ea1-12
0.527
ERI-UCB-fbdd3ea1-17
0.527
ERI-UCB-fbdd3ea1-15
0.522
LON-WEI-adc59df6-102
0.520
ERI-UCB-fbdd3ea1-16
0.505
ERI-UCB-fbdd3ea1-30
0.500
ERI-UCB-fbdd3ea1-31
0.490
LON-WEI-adc59df6-3
0.488
ERI-UCB-fbdd3ea1-14
0.480
LON-WEI-adc59df6-72
0.478
NIR-WEI-f9286bb6-2
0.473
LON-WEI-adc59df6-21
0.472
LON-WEI-adc59df6-30
0.467
LON-WEI-adc59df6-31
0.462
LON-WEI-adc59df6-75
0.462
ERI-UCB-fbdd3ea1-19
0.462
LON-WEI-adc59df6-60
0.462
LON-WEI-adc59df6-77
0.461
RAL-MED-9a5eb9cb-10
0.461
LON-WEI-adc59df6-44
0.457
LON-WEI-adc59df6-42
0.453
LON-WEI-adc59df6-35
0.453
LON-WEI-adc59df6-93
0.452
ERI-UCB-fbdd3ea1-18
0.452
LON-WEI-adc59df6-96
0.452
NIM-NMI-8bb27a2b-23
0.449
LON-WEI-adc59df6-94
0.448
ERI-UCB-fbdd3ea1-22
0.447
LON-WEI-adc59df6-69
0.447
LON-WEI-adc59df6-99
0.447
LON-WEI-adc59df6-14
0.447
LON-WEI-adc59df6-29
0.447
LON-WEI-adc59df6-97
0.447
LON-WEI-adc59df6-41
0.443
NIM-NMI-8bb27a2b-22
0.443
ERI-UCB-fbdd3ea1-21
0.442
LON-WEI-adc59df6-64
0.439
LON-WEI-adc59df6-26
0.438
LON-WEI-adc59df6-86
0.438
LON-WEI-adc59df6-17
0.438
LON-WEI-adc59df6-9
0.436
LON-WEI-adc59df6-33
0.436
LON-WEI-adc59df6-54
0.435
LON-WEI-adc59df6-53
0.435
LON-WEI-adc59df6-39
0.434
LON-WEI-adc59df6-76
0.434
LON-WEI-adc59df6-92
0.434
LON-WEI-adc59df6-28
0.433
LON-WEI-adc59df6-63
0.433
LON-WEI-adc59df6-71
0.433
LON-WEI-adc59df6-62
0.433
RIT-AID-a497c99f-1
0.432
ALP-POS-c59291d4-6
0.432
ERI-UCB-fbdd3ea1-33
0.430
LON-WEI-adc59df6-1
0.430
LON-WEI-adc59df6-18
0.430
LON-WEI-adc59df6-46
0.430
LON-WEI-adc59df6-8
0.429
LON-WEI-adc59df6-27
0.429
LON-WEI-adc59df6-89
0.429
LON-WEI-adc59df6-67
0.429
ERI-UCB-fbdd3ea1-20
0.429
LON-WEI-adc59df6-5
0.426
LON-WEI-adc59df6-58
0.426
LON-WEI-adc59df6-40
0.424
LON-WEI-d1c9908a-7
0.424