Molecular Properties | |
SMILES: | COC(=O)CN1CC2(NC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 464.09 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 108.91 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
Ester
12_-111-3e02a1cd-2
0.648
JOH-MSK-4bb3d434-2
0.648
PET-UNK-77d5678a-3
0.648
PET-UNK-77d5678a-6
0.648
JOH-MSK-4bb3d434-1
0.619
JOH-MSK-4bb3d434-4
0.607
VLA-MRT-8c78ee15-3
0.594
MAT-POS-ddfe83c6-4
0.594
VLA-MRT-a639d434-1
0.594
VLA-MRT-a639d434-2
0.581
VLA-MRT-8c78ee15-4
0.581
JOH-MSK-4bb3d434-5
0.573
PET-UNK-4c71d490-1
0.571
PET-UNK-4c71d490-5
0.571
PET-UNK-14142a25-6
0.553
PET-UNK-14142a25-15
0.553
LUO-POS-868e8996-8
0.550
LUO-POS-868e8996-7
0.550
MAT-POS-1bed62cf-2
0.550
PET-UNK-4c71d490-7
0.549
PET-UNK-4c71d490-3
0.549
MIC-UNK-eb20c3e1-2
0.535
LUO-POS-9931618f-1
0.527
PET-UNK-14142a25-1
0.527
MIK-ENA-37e0b697-1
0.527
MIK-ENA-794411b8-1
0.527
LUO-POS-9931618f-2
0.527
EDJ-MED-8bb691af-8
0.527
PET-UNK-14142a25-10
0.527
EDJ-MED-a6bd6de0-1
0.526
EDJ-MED-b0f3342b-1
0.526
VLA-UNK-70dd90ef-1
0.524
VLA-UCB-34f3ed0c-11
0.514
VLA-UNK-cf7facf1-1
0.514
VLA-UCB-29506327-1
0.514
EDJ-MED-33064c06-12
0.513
VLA-UNK-83c3754c-1
0.510
VLA-UNK-70dd90ef-4
0.510
EDJ-MED-4cb9dd84-1
0.509
EDJ-MED-3af0740c-5
0.508
EDJ-MED-33064c06-1
0.504
EDJ-MED-33064c06-4
0.504
MAT-POS-c2d406ed-1
0.500
MIK-ENA-f156d06e-1
0.500
EDJ-MED-33064c06-2
0.500
EDJ-MED-33064c06-5
0.500
VLA-MRT-8c78ee15-1
0.500
VLA-MRT-8c78ee15-2
0.500
VLA-MRT-a639d434-3
0.500
EDJ-MED-fed7ac0b-1
0.500
EDJ-MED-8bb691af-7
0.500
ALP-POS-c3a90b22-11
0.496
EDJ-MED-33064c06-3
0.496
EDJ-MED-33064c06-8
0.496
PET-UNK-14142a25-2
0.496
PET-UNK-14142a25-11
0.496
EDJ-MED-a12e3a20-2
0.496
EDJ-MED-fd8ed875-3
0.496
EDJ-MED-fd8ed875-5
0.492
EDJ-MED-3af0740c-1
0.492
EDJ-MED-33064c06-14
0.487
EDJ-MED-fed7ac0b-4
0.487
EDJ-MED-fd8ed875-1
0.487
EDJ-MED-33064c06-18
0.487
PET-UNK-626a1084-2
0.487
PET-UNK-626a1084-4
0.487
EDJ-MED-3af0740c-4
0.484
EDJ-MED-33064c06-6
0.484
EDJ-MED-33064c06-10
0.483
PET-UNK-14142a25-8
0.483
PET-UNK-14142a25-17
0.483
PET-UNK-4c71d490-2
0.479
PET-UNK-4c71d490-6
0.479
EDJ-MED-33064c06-17
0.479
ALP-POS-c3a90b22-12
0.479
EDJ-MED-33064c06-9
0.479
PET-UNK-14142a25-4
0.479
PET-UNK-14142a25-13
0.479
EDJ-MED-33064c06-15
0.479
ALP-POS-c3a90b22-5
0.479
EDJ-MED-8bb691af-9
0.479
VLA-UNK-70dd90ef-2
0.476
PET-UNK-4c71d490-8
0.475
PET-UNK-4c71d490-4
0.475
PET-UNK-626a1084-1
0.474
PET-UNK-626a1084-3
0.474
PET-UNK-77d5678a-2
0.471
PET-UNK-77d5678a-5
0.471
12_-111-3e02a1cd-1
0.471
PET-UNK-aa57768f-3
0.469
PET-UNK-aa57768f-9
0.469
EDJ-MED-dbcb2afb-1
0.467
EDJ-MED-cbbe2dbb-4
0.467
VLA-UNK-3a43cd95-1
0.459
EDJ-MED-0d144977-1
0.458
EDJ-MED-40e596c8-5
0.458
PET-UNK-eeb64427-2
0.458
PET-UNK-eeb64427-5
0.458
PET-UNK-7955f415-4
0.458
PET-UNK-7955f415-2
0.458