Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@]2(NCCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 463.14 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 94.64 |
cLogP: | 1.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-14142a25-15
1.000
PET-UNK-14142a25-16
0.700
PET-UNK-14142a25-7
0.700
EDJ-MED-8bb691af-8
0.667
PET-UNK-14142a25-10
0.667
LUO-POS-9931618f-1
0.667
PET-UNK-14142a25-1
0.667
MIK-ENA-37e0b697-1
0.667
MIK-ENA-794411b8-1
0.667
LUO-POS-9931618f-2
0.667
PET-UNK-14142a25-2
0.642
PET-UNK-14142a25-11
0.642
PET-UNK-14142a25-8
0.625
PET-UNK-14142a25-17
0.625
PET-UNK-14142a25-4
0.619
PET-UNK-14142a25-13
0.619
EDJ-MED-a12e3a20-2
0.613
EDJ-MED-8bb691af-9
0.593
EDJ-MED-fed7ac0b-1
0.574
LUO-POS-868e8996-7
0.570
EDJ-MED-fd8ed875-3
0.570
MAT-POS-1bed62cf-2
0.570
LUO-POS-868e8996-8
0.570
EDJ-MED-33064c06-3
0.568
JOH-MSK-4bb3d434-1
0.566
PET-UNK-4c71d490-1
0.564
PET-UNK-4c71d490-5
0.564
EDJ-MED-8bb691af-7
0.561
EDJ-MED-33064c06-18
0.560
EDJ-MED-fd8ed875-1
0.560
EDJ-MED-33064c06-8
0.556
PET-UNK-4c71d490-3
0.556
PET-UNK-4c71d490-7
0.556
JOH-MSK-4bb3d434-3
0.553
ALP-POS-c3a90b22-5
0.552
EDJ-MED-33064c06-1
0.551
VLA-UNK-61877630-6
0.551
VLA-UNK-8e615992-5
0.551
EDJ-MED-fd8ed875-5
0.551
EDJ-MED-33064c06-4
0.550
EDJ-MED-33064c06-2
0.547
EDJ-MED-fed7ac0b-4
0.547
EDJ-MED-33064c06-5
0.546
EDJ-MED-33064c06-12
0.546
EDJ-MED-33064c06-14
0.546
EDJ-MED-a6bd6de0-1
0.546
EDJ-MED-b0f3342b-1
0.546
EDJ-MED-4cb9dd84-1
0.542
MIC-UNK-eb20c3e1-2
0.542
EDJ-MED-b6c6ee2b-6
0.538
VLA-UNK-61877630-5
0.538
VLA-UNK-8e615992-2
0.538
EDG-MED-b1ef7fe3-2
0.538
EDJ-MED-3af0740c-1
0.538
EDJ-MED-33064c06-15
0.538
EDG-MED-b1ef7fe3-1
0.535
ALP-POS-afe0272e-2
0.535
LUO-POS-8c3e556a-2
0.535
EDG-MED-b1ef7fe3-4
0.535
LUO-POS-8c3e556a-1
0.535
VLA-UNK-61877630-3
0.534
VLA-UNK-8e615992-4
0.534
VLA-UNK-61877630-4
0.530
VLA-UNK-8e615992-1
0.530
JOH-MSK-4bb3d434-4
0.530
EDJ-MED-33064c06-10
0.529
ALP-POS-c3a90b22-11
0.529
EDJ-MED-33064c06-6
0.528
ALP-POS-c3a90b22-1
0.525
EDJ-MED-98c0a822-3
0.525
EDJ-MED-33064c06-17
0.525
ALP-POS-c3a90b22-12
0.525
EDJ-MED-33064c06-9
0.525
MAT-POS-e48723dc-1
0.521
EDG-MED-b1ef7fe3-3
0.521
LUO-POS-e1dab717-2
0.521
EDJ-MED-976a33d5-1
0.521
MAT-POS-576f7758-2
0.521
MAT-POS-e48723dc-2
0.521
PET-UNK-aa57768f-2
0.518
PET-UNK-aa57768f-8
0.518
MAT-POS-38eb6498-6
0.517
EDJ-MED-7d88f880-1
0.516
EDJ-MED-0d144977-2
0.513
PET-UNK-aa57768f-3
0.504
PET-UNK-aa57768f-9
0.504
MAT-POS-ddfe83c6-1
0.504
EDJ-MED-0d144977-3
0.504
EDJ-MED-cc48ee33-7
0.504
EDJ-MED-98c0a822-4
0.504
ALP-POS-c3a90b22-3
0.504
EDJ-MED-33064c06-13
0.504
PET-UNK-aa57768f-5
0.500
PET-UNK-aa57768f-11
0.500
VLA-UNK-8e615992-3
0.500
JOH-MSK-4bb3d434-5
0.500
EDJ-MED-9f4ac58c-6
0.496
PET-UNK-14142a25-3
0.496
PET-UNK-14142a25-12
0.496
LUO-POS-e1dab717-14
0.496