Molecule Details
| Molecular Properties | |
| SMILES: | CN1CC(CNC(=O)CN2CC3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)C1 |
| MW: | 517.19 |
| Fraction sp3: | 0.36 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 85.85 |
| cLogP: | 2.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-4cb9dd84-1
0.860
EDJ-MED-33064c06-4
0.845
ALP-POS-c3a90b22-11
0.835
ALP-POS-c3a90b22-12
0.827
EDJ-MED-33064c06-9
0.827
EDJ-MED-33064c06-5
0.774
PET-UNK-14142a25-10
0.772
LUO-POS-9931618f-1
0.772
PET-UNK-14142a25-1
0.772
MIK-ENA-37e0b697-1
0.772
MIK-ENA-794411b8-1
0.772
LUO-POS-9931618f-2
0.772
EDJ-MED-8bb691af-8
0.772
EDJ-MED-33064c06-1
0.764
EDJ-MED-33064c06-2
0.762
EDJ-MED-33064c06-12
0.757
EDJ-MED-33064c06-8
0.755
EDJ-MED-33064c06-3
0.750
EDJ-MED-3af0740c-1
0.748
EDJ-MED-33064c06-14
0.741
JOH-MSK-4bb3d434-1
0.740
EDJ-MED-33064c06-10
0.734
EDJ-MED-33064c06-18
0.729
EDJ-MED-33064c06-17
0.727
MAT-POS-e75f6e44-16
0.705
EDJ-MED-33064c06-15
0.700
EDJ-MED-4cb9dd84-2
0.697
MIK-ENA-434a856c-1
0.697
MIK-ENA-93ef1e28-1
0.697
ALP-POS-c3a90b22-5
0.688
EDJ-MED-40e596c8-4
0.673
PET-UNK-14142a25-2
0.664
PET-UNK-14142a25-11
0.664
EDJ-MED-40e596c8-5
0.661
PET-UNK-aa57768f-2
0.654
PET-UNK-aa57768f-3
0.654
PET-UNK-aa57768f-8
0.654
PET-UNK-aa57768f-9
0.654
EDJ-MED-0d144977-3
0.646
EDJ-MED-cc48ee33-7
0.646
EDJ-MED-0d144977-2
0.643
EDG-MED-b1ef7fe3-4
0.642
EDJ-MED-59d5ca70-1
0.641
EDJ-MED-0d144977-4
0.640
LUO-POS-8c3e556a-1
0.627
EDG-MED-b1ef7fe3-1
0.627
LUO-POS-8c3e556a-2
0.627
EDJ-MED-0d144977-5
0.626
PET-UNK-37c7074c-1
0.619
PET-UNK-37c7074c-3
0.619
PET-UNK-37c7074c-2
0.619
PET-UNK-37c7074c-4
0.619
PET-UNK-6af7266d-3
0.619
PET-UNK-6af7266d-1
0.619
EDJ-MED-0d144977-1
0.617
EDJ-MED-cc48ee33-2
0.615
PET-UNK-aa57768f-7
0.614
EDG-MED-b1ef7fe3-2
0.614
EDJ-MED-b6c6ee2b-6
0.614
PET-UNK-aa57768f-1
0.614
LUO-POS-e1dab717-2
0.609
EDJ-MED-976a33d5-1
0.609
MAT-POS-576f7758-2
0.609
MAT-POS-e48723dc-2
0.609
MAT-POS-e48723dc-1
0.609
MAT-POS-38eb6498-6
0.603
EDJ-MED-7d88f880-1
0.602
VLA-UNK-61877630-5
0.600
VLA-UNK-8e615992-2
0.600
ALP-POS-c3a90b22-1
0.598
EDJ-MED-98c0a822-3
0.598
ALP-POS-afe0272e-2
0.598
MAT-POS-e75f6e44-20
0.597
EDG-MED-b1ef7fe3-3
0.595
ALP-POS-ecbed2ba-12
0.595
MAT-POS-566864e2-1
0.595
MAT-POS-566864e2-2
0.595
ALP-POS-c3a90b22-8
0.593
MAT-POS-ddfe83c6-1
0.590
ALP-POS-c3a90b22-3
0.588
EDJ-MED-33064c06-13
0.588
EDJ-MED-98c0a822-4
0.588
EDJ-MED-33064c06-11
0.582
ALP-POS-c3a90b22-9
0.582
MAT-POS-e75f6e44-13
0.580
LUO-POS-e1dab717-12
0.579
VLA-UNK-61877630-4
0.578
VLA-UNK-8e615992-1
0.578
PET-UNK-4c71d490-7
0.576
PET-UNK-4c71d490-3
0.576
MAT-POS-e75f6e44-14
0.575
MAT-POS-853c0ffa-1
0.573
MAT-POS-1d5ab790-3
0.573
MAT-POS-e75f6e44-18
0.570
EDJ-MED-9f4ac58c-6
0.567
MAT-POS-e75f6e44-21
0.566
PET-UNK-14142a25-8
0.563
PET-UNK-14142a25-17
0.563
PET-UNK-aa57768f-5
0.560
PET-UNK-aa57768f-6
0.560