Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(N=CN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 447.11 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 94.97 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-fd8ed875-2
0.705
EDJ-MED-fd8ed875-3
0.630
PET-UNK-14142a25-10
0.623
LUO-POS-9931618f-1
0.623
PET-UNK-14142a25-1
0.623
MIK-ENA-37e0b697-1
0.623
MIK-ENA-794411b8-1
0.623
LUO-POS-9931618f-2
0.623
EDJ-MED-8bb691af-8
0.623
EDJ-MED-fd8ed875-5
0.622
MIK-ENA-fe164c2a-1
0.611
PET-UNK-14142a25-2
0.600
PET-UNK-14142a25-11
0.600
MIC-UNK-eb20c3e1-2
0.584
EDJ-MED-8bb691af-7
0.577
LUO-POS-868e8996-7
0.571
MAT-POS-1bed62cf-2
0.571
LUO-POS-868e8996-8
0.571
EDJ-MED-a12e3a20-2
0.571
PET-UNK-4c71d490-3
0.570
PET-UNK-14142a25-8
0.570
PET-UNK-14142a25-17
0.570
PET-UNK-4c71d490-7
0.570
PET-UNK-14142a25-4
0.565
PET-UNK-14142a25-13
0.565
EDJ-MED-fed7ac0b-1
0.561
EDJ-MED-fed7ac0b-4
0.561
PET-UNK-14142a25-6
0.560
PET-UNK-14142a25-15
0.560
EDJ-MED-8bb691af-9
0.553
PET-UNK-4c71d490-1
0.552
PET-UNK-4c71d490-5
0.552
EDJ-MED-a6bd6de0-1
0.547
EDJ-MED-b0f3342b-1
0.547
EDJ-MED-33064c06-3
0.529
JOH-MSK-4bb3d434-1
0.526
EDJ-MED-33064c06-1
0.525
EDJ-MED-33064c06-12
0.521
EDJ-MED-4cb9dd84-1
0.517
EDJ-MED-33064c06-10
0.517
ALP-POS-c3a90b22-5
0.513
EDJ-MED-33064c06-2
0.508
EDJ-MED-33064c06-18
0.508
EDJ-MED-33064c06-5
0.508
VLA-UNK-61877630-4
0.504
VLA-UNK-8e615992-1
0.504
EDJ-MED-fd8ed875-4
0.504
EDJ-MED-33064c06-8
0.504
EDJ-MED-fd8ed875-6
0.504
EDG-MED-b6bce001-1
0.504
ALP-POS-c3a90b22-11
0.504
EDG-MED-00af8776-1
0.504
EDG-MED-0c930815-1
0.504
EDJ-MED-3af0740c-1
0.500
EDJ-MED-33064c06-15
0.500
VLA-UNK-61877630-6
0.500
VLA-UNK-8e615992-5
0.500
EDJ-MED-33064c06-14
0.496
VLA-UNK-61877630-3
0.496
MAT-POS-e48723dc-1
0.496
LUO-POS-e1dab717-2
0.496
EDJ-MED-976a33d5-1
0.496
MAT-POS-576f7758-2
0.496
MAT-POS-e48723dc-2
0.496
VLA-UNK-8e615992-4
0.496
EDJ-MED-015fb6b4-1
0.496
EDG-MED-b1ef7fe3-1
0.496
ALP-POS-afe0272e-2
0.496
LUO-POS-8c3e556a-2
0.496
ALP-POS-e266d783-1
0.496
MAT-POS-853c0ffa-2
0.496
EDG-MED-b1ef7fe3-4
0.496
LUO-POS-868e8996-6
0.496
LUO-POS-868e8996-5
0.496
LUO-POS-8c3e556a-1
0.496
EDJ-MED-43f8f7d6-5
0.496
EDJ-MED-33064c06-6
0.492
EDJ-MED-33064c06-4
0.488
EDJ-MED-33064c06-17
0.488
ALP-POS-c3a90b22-12
0.488
EDJ-MED-33064c06-9
0.488
ALP-POS-c3a90b22-1
0.488
EDJ-MED-98c0a822-3
0.488
VLA-UNK-61877630-5
0.487
VLA-UNK-8e615992-2
0.487
PET-UNK-7955f415-1
0.487
JOH-MSK-4bb3d434-3
0.487
PET-UNK-7955f415-3
0.487
EDG-MED-b1ef7fe3-3
0.483
EDJ-MED-98c0a822-4
0.480
ALP-POS-c3a90b22-3
0.480
EDJ-MED-33064c06-13
0.480
MAT-POS-38eb6498-6
0.479
PET-UNK-7955f415-4
0.479
PET-UNK-7955f415-2
0.479
JOH-MSK-4bb3d434-4
0.479
EDJ-MED-b6c6ee2b-6
0.475
PET-UNK-77d5678a-3
0.475
PET-UNK-77d5678a-6
0.475
12_-111-3e02a1cd-2
0.475