Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O)NC1CC1 |
MW: | 474.15 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-9931618f-1
0.811
MIK-ENA-37e0b697-1
0.811
MIK-ENA-794411b8-1
0.811
LUO-POS-9931618f-2
0.811
PET-UNK-14142a25-1
0.811
PET-UNK-14142a25-10
0.811
EDJ-MED-8bb691af-8
0.811
EDJ-MED-4cb9dd84-1
0.790
JOH-MSK-4bb3d434-1
0.776
EDJ-MED-33064c06-8
0.772
ALP-POS-c3a90b22-11
0.767
EDJ-MED-33064c06-2
0.762
ALP-POS-c3a90b22-12
0.760
EDJ-MED-33064c06-9
0.760
EDJ-MED-3af0740c-1
0.748
EDJ-MED-33064c06-1
0.748
EDJ-MED-33064c06-15
0.748
EDJ-MED-33064c06-4
0.743
EDJ-MED-33064c06-5
0.740
EDJ-MED-33064c06-12
0.740
EDJ-MED-33064c06-14
0.740
EDJ-MED-33064c06-3
0.733
EDJ-MED-33064c06-10
0.733
EDJ-MED-33064c06-6
0.729
EDJ-MED-33064c06-17
0.726
ALP-POS-c3a90b22-5
0.702
EDJ-MED-40e596c8-4
0.701
PET-UNK-aa57768f-2
0.700
PET-UNK-aa57768f-3
0.700
PET-UNK-aa57768f-8
0.700
PET-UNK-aa57768f-9
0.700
PET-UNK-14142a25-2
0.692
PET-UNK-14142a25-11
0.692
EDJ-MED-40e596c8-5
0.689
MAT-POS-69786b79-2
0.679
PET-UNK-6af7266d-1
0.660
PET-UNK-37c7074c-1
0.660
PET-UNK-37c7074c-3
0.660
PET-UNK-37c7074c-2
0.660
PET-UNK-37c7074c-4
0.660
PET-UNK-6af7266d-3
0.660
EDJ-MED-cc48ee33-7
0.657
EDJ-MED-0d144977-3
0.657
PET-UNK-aa57768f-1
0.654
EDJ-MED-0d144977-2
0.654
PET-UNK-aa57768f-7
0.654
LUO-POS-8c3e556a-2
0.654
LUO-POS-8c3e556a-1
0.654
EDG-MED-b1ef7fe3-1
0.654
EDG-MED-b1ef7fe3-4
0.654
EDJ-MED-0d144977-5
0.651
ALP-POS-c3a90b22-8
0.645
EDJ-MED-0d144977-1
0.642
EDJ-MED-59d5ca70-1
0.637
EDJ-MED-0d144977-4
0.636
MAT-POS-576f7758-2
0.633
EDJ-MED-4cb9dd84-2
0.633
MIK-ENA-434a856c-1
0.633
MIK-ENA-93ef1e28-1
0.633
LUO-POS-e1dab717-2
0.633
EDJ-MED-976a33d5-1
0.633
MAT-POS-e48723dc-1
0.633
MAT-POS-e48723dc-2
0.633
MAT-POS-38eb6498-6
0.627
EDJ-MED-cc48ee33-2
0.625
VLA-UNK-61877630-5
0.624
VLA-UNK-8e615992-2
0.624
EDG-MED-b1ef7fe3-2
0.624
EDJ-MED-b6c6ee2b-6
0.624
ALP-POS-afe0272e-2
0.623
EDJ-MED-98c0a822-3
0.622
ALP-POS-c3a90b22-1
0.622
EDG-MED-b1ef7fe3-3
0.618
EDJ-MED-9f4ac58c-6
0.616
MAT-POS-ddfe83c6-1
0.613
EDJ-MED-7d88f880-1
0.611
ALP-POS-c3a90b22-3
0.611
EDJ-MED-33064c06-13
0.611
EDJ-MED-98c0a822-4
0.611
EDJ-MED-9f4ac58c-2
0.607
VLA-UNK-8e615992-1
0.600
VLA-UNK-61877630-4
0.600
JAG-UCB-f37eaa14-4
0.600
PET-UNK-4c71d490-3
0.598
PET-UNK-4c71d490-7
0.598
PET-UNK-aa57768f-5
0.596
PET-UNK-aa57768f-6
0.596
PET-UNK-aa57768f-12
0.596
PET-UNK-aa57768f-11
0.596
ALP-POS-c3a90b22-9
0.590
EDJ-MED-33064c06-11
0.590
MAT-POS-38eb6498-4
0.588
EDJ-MED-b6c6ee2b-5
0.588
MAT-POS-853c0ffa-1
0.580
MAT-POS-1d5ab790-3
0.580
MAT-POS-1bed62cf-2
0.571
LUO-POS-868e8996-7
0.571
LUO-POS-868e8996-8
0.571
PET-UNK-c6bcc80b-6
0.568
PET-UNK-c6bcc80b-13
0.568