Molecular Properties | |
SMILES: | Cn1cncc1CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 471.15 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 71.33 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-cc48ee33-7
0.798
EDJ-MED-0d144977-3
0.798
EDJ-MED-0d144977-5
0.738
PET-UNK-6af7266d-1
0.733
PET-UNK-6af7266d-3
0.733
LUO-POS-9931618f-2
0.727
PET-UNK-14142a25-10
0.727
EDJ-MED-8bb691af-8
0.727
PET-UNK-14142a25-1
0.727
MIK-ENA-37e0b697-1
0.727
LUO-POS-9931618f-1
0.727
MIK-ENA-794411b8-1
0.727
PET-UNK-aa57768f-1
0.725
PET-UNK-aa57768f-7
0.725
PET-UNK-aa57768f-8
0.724
PET-UNK-aa57768f-2
0.724
EDJ-MED-0d144977-4
0.721
PET-UNK-37c7074c-1
0.716
PET-UNK-37c7074c-3
0.716
PET-UNK-37c7074c-2
0.716
PET-UNK-37c7074c-4
0.716
EDJ-MED-0d144977-1
0.712
PET-UNK-aa57768f-3
0.707
PET-UNK-aa57768f-9
0.707
JOH-MSK-4bb3d434-1
0.696
ALP-POS-c3a90b22-5
0.692
EDJ-MED-40e596c8-4
0.661
EDJ-MED-33064c06-1
0.657
EDJ-MED-33064c06-15
0.657
EDJ-MED-33064c06-2
0.654
EDJ-MED-33064c06-18
0.654
ALP-POS-c3a90b22-8
0.651
EDJ-MED-33064c06-5
0.651
EDJ-MED-33064c06-12
0.651
EDJ-MED-33064c06-8
0.648
EDJ-MED-4cb9dd84-1
0.648
EDJ-MED-40e596c8-5
0.648
EDJ-MED-33064c06-3
0.645
EDJ-MED-33064c06-6
0.643
EDJ-MED-3af0740c-1
0.642
EDJ-MED-33064c06-17
0.640
EDJ-MED-33064c06-14
0.636
EDJ-MED-33064c06-10
0.631
ALP-POS-c3a90b22-11
0.631
EDJ-MED-33064c06-4
0.625
EDJ-MED-33064c06-9
0.625
ALP-POS-c3a90b22-12
0.625
PET-UNK-aa57768f-4
0.622
PET-UNK-aa57768f-10
0.622
PET-UNK-14142a25-2
0.620
PET-UNK-14142a25-11
0.620
PET-UNK-aa57768f-5
0.617
PET-UNK-aa57768f-11
0.617
EDJ-MED-9f4ac58c-2
0.613
MAT-POS-e48723dc-2
0.609
LUO-POS-e1dab717-2
0.609
EDJ-MED-976a33d5-1
0.609
MAT-POS-576f7758-2
0.609
MAT-POS-e48723dc-1
0.609
EDJ-MED-9f4ac58c-6
0.607
PET-UNK-aa57768f-6
0.602
PET-UNK-aa57768f-12
0.602
EDJ-MED-cc48ee33-2
0.602
ALP-POS-c3a90b22-1
0.598
EDJ-MED-98c0a822-3
0.598
EDJ-MED-98c0a822-4
0.588
ALP-POS-c3a90b22-3
0.588
EDJ-MED-33064c06-13
0.588
EDG-MED-b1ef7fe3-1
0.583
LUO-POS-8c3e556a-1
0.583
EDG-MED-b1ef7fe3-4
0.583
LUO-POS-8c3e556a-2
0.583
MAT-POS-38eb6498-6
0.575
EDJ-MED-59d5ca70-1
0.573
VLA-UNK-61877630-5
0.571
VLA-UNK-8e615992-2
0.571
ALP-POS-afe0272e-2
0.569
ALP-POS-c3a90b22-9
0.568
EDJ-MED-33064c06-11
0.568
EDG-MED-b1ef7fe3-2
0.558
EDJ-MED-b6c6ee2b-6
0.558
EDG-MED-b1ef7fe3-3
0.553
JAG-UCB-f37eaa14-4
0.549
VLA-UNK-61877630-4
0.549
VLA-UNK-8e615992-1
0.549
MAT-POS-ddfe83c6-1
0.548
EDJ-MED-7d88f880-1
0.547
EDJ-MED-7587a9ee-3
0.546
JAG-UCB-f37eaa14-8
0.544
LUO-POS-868e8996-12
0.541
EDJ-MED-8bb691af-4
0.541
MAT-POS-c7726e07-5
0.541
LUO-POS-868e8996-11
0.541
MAT-POS-c7726e07-6
0.541
JAG-UCB-f37eaa14-5
0.540
ALP-POS-ecbed2ba-14
0.539
LUO-POS-e1dab717-19
0.536
ALP-POS-c3a90b22-6
0.535
PET-UNK-4c71d490-3
0.534
PET-UNK-4c71d490-7
0.534