Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)CC(C)(C)N(c1cncc3ccccc13)C2=O |
MW: | 462.18 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-e1dab717-17
0.771
ALP-POS-133e7cd9-1
0.673
EDJ-MED-8bb691af-4
0.670
MAT-POS-c7726e07-5
0.670
LUO-POS-868e8996-11
0.670
MAT-POS-c7726e07-6
0.670
LUO-POS-868e8996-12
0.670
JOH-MSK-1f2dff76-1
0.647
JOH-MSK-1f2dff76-2
0.647
MAT-POS-1bed62cf-3
0.647
PET-UNK-eeb64427-1
0.638
PET-UNK-eeb64427-4
0.638
PET-UNK-eeb64427-5
0.629
PET-UNK-eeb64427-2
0.629
LUO-POS-e1dab717-16
0.613
MIK-ENA-4a1c9a78-1
0.587
MIK-ENA-1494235a-1
0.587
MIK-ENA-4ed700b1-1
0.587
EDJ-MED-6b23330e-5
0.582
MAT-POS-e75f6e44-4
0.582
LUO-POS-f7b1afe6-3
0.581
MAT-POS-69786b79-3
0.578
MAT-POS-e75f6e44-7
0.577
ALP-POS-ecbed2ba-14
0.573
MAT-POS-e75f6e44-6
0.571
MAT-POS-e75f6e44-19
0.571
EDJ-MED-6b23330e-6
0.571
MAT-POS-50a80394-7
0.570
MAT-POS-50a80394-4
0.570
LUO-POS-f7b1afe6-4
0.570
EDJ-MED-6b23330e-2
0.568
EDJ-MED-6b23330e-7
0.568
EDJ-MED-6b23330e-1
0.568
MAT-POS-ddfe83c6-6
0.565
EDJ-MED-6b23330e-4
0.562
MIC-UNK-eb20c3e1-1
0.560
BRU-THA-ae0174a8-1
0.559
LUO-POS-b4dec3be-1
0.559
MIK-ENA-4bb8c98f-1
0.559
MIK-ENA-610c7cf9-1
0.559
MAT-POS-566864e2-1
0.559
MAT-POS-e75f6e44-1
0.559
MAT-POS-b4d6b7fc-5
0.559
LUO-POS-b4dec3be-2
0.559
MAT-POS-e75f6e44-5
0.559
MAT-POS-566864e2-2
0.559
ALP-POS-ecbed2ba-12
0.559
MAT-POS-e75f6e44-12
0.558
LUO-POS-e1dab717-19
0.557
MAT-POS-e75f6e44-16
0.557
PET-UNK-94036022-7
0.556
MAT-POS-ddfe83c6-4
0.556
VLA-MRT-a639d434-1
0.556
MAT-POS-50a80394-5
0.556
PET-UNK-94036022-14
0.556
VLA-MRT-8c78ee15-3
0.556
MAT-POS-e75f6e44-2
0.554
EDJ-MED-33064c06-16
0.553
MAT-POS-e75f6e44-10
0.553
MAT-POS-ddfe83c6-3
0.550
MAT-POS-ddfe83c6-5
0.550
MAT-POS-e75f6e44-17
0.549
MAT-POS-38eb6498-5
0.549
EDJ-MED-8bb691af-1
0.547
EDJ-MED-8bb691af-3
0.546
MAT-POS-ddfe83c6-2
0.545
MAT-POS-69786b79-2
0.545
MAT-POS-e75f6e44-13
0.544
MAT-POS-e75f6e44-15
0.544
MAT-POS-e75f6e44-21
0.543
EDJ-MED-24007d8a-1
0.541
MAT-POS-e75f6e44-3
0.540
MAT-POS-e75f6e44-14
0.539
MAT-POS-e75f6e44-11
0.539
EDJ-MED-6b23330e-3
0.538
PET-UNK-eeb64427-3
0.536
MAT-POS-b4d6b7fc-6
0.536
MAT-POS-1d5ab790-2
0.536
MAT-POS-50a80394-6
0.536
PET-UNK-eeb64427-6
0.536
EDJ-MED-b6c6ee2b-2
0.535
MAT-POS-e75f6e44-18
0.534
MAT-POS-e75f6e44-20
0.534
MAT-POS-69786b79-4
0.530
MAT-POS-e75f6e44-8
0.530
MAT-POS-e75f6e44-9
0.530
ALP-POS-c3a90b22-6
0.527
VLA-UNK-5d8210f0-2
0.522
ALP-POS-afe0272e-1
0.514
MAT-POS-38eb6498-3
0.512
EDJ-MED-b6c6ee2b-1
0.512
MAT-UNK-28cf4d29-1
0.509
ALP-POS-e266d783-2
0.509
MAT-POS-89bd6af1-3
0.509
LUO-POS-e1dab717-13
0.504
MAT-POS-b4d6b7fc-7
0.504
VLA-UNK-5d8210f0-1
0.500
MIK-ENA-9eb8d9fb-1
0.500
MIK-ENA-f73d8b60-1
0.496
PET-UNK-df7eb4e6-1
0.496