Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 471.15 |
| Fraction sp3: | 0.23 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 71.33 |
| cLogP: | 3.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-4223bc15-40
EDJ-MED-cc48ee33-4
0.806
MAT-POS-be048f2c-8
0.794
EDJ-MED-cc48ee33-5
0.790
MAT-POS-be048f2c-6
0.784
MAT-POS-be048f2c-5
0.784
MAT-POS-be048f2c-7
0.767
EDJ-MED-cc48ee33-2
0.661
MAT-POS-c7726e07-5
0.644
LUO-POS-868e8996-11
0.644
LUO-POS-868e8996-12
0.644
MAT-POS-c7726e07-6
0.644
EDJ-MED-8bb691af-4
0.644
LUO-POS-e1dab717-19
0.641
EDJ-MED-7587a9ee-3
0.637
ALP-POS-c3a90b22-6
0.636
MAT-POS-576f7758-1
0.626
MAT-POS-566864e2-3
0.626
MAT-POS-69786b79-1
0.626
LUO-POS-e1dab717-1
0.626
ALP-POS-ecbed2ba-7
0.626
MAT-POS-566864e2-4
0.626
ALP-POS-ecbed2ba-1
0.622
ALP-POS-ecbed2ba-3
0.620
LUO-POS-ed2cfb03-2
0.619
EDJ-MED-6b23330e-5
0.618
MAT-POS-e75f6e44-4
0.618
EDJ-MED-6b23330e-2
0.618
MAT-POS-69786b79-3
0.615
ALP-POS-c3a90b22-2
0.615
MAT-POS-e75f6e44-7
0.613
ALP-POS-c3a90b22-4
0.613
LUO-POS-ed2cfb03-1
0.611
EDJ-MED-40e596c8-1
0.611
ALP-POS-c3a90b22-10
0.611
ALP-POS-ecbed2ba-20
0.610
MIK-ENA-1494235a-1
0.609
MIK-ENA-4ed700b1-1
0.609
ALP-POS-ecbed2ba-14
0.609
MIK-ENA-4a1c9a78-1
0.609
MAT-POS-e75f6e44-19
0.607
PET-UNK-94036022-10
0.606
EDJ-MED-3707c4bc-2
0.606
PET-UNK-94036022-3
0.606
VLA-UNK-3bd6fc51-1
0.604
EDJ-MED-6b23330e-1
0.604
EDJ-MED-6b23330e-7
0.604
EDJ-MED-33064c06-16
0.602
EDJ-MED-40e596c8-3
0.602
MAT-POS-e75f6e44-10
0.602
EDJ-MED-6b23330e-4
0.598
BRU-THA-ae0174a8-1
0.595
ALP-POS-ecbed2ba-12
0.595
PET-UNK-94036022-2
0.595
MAT-POS-566864e2-1
0.595
MAT-POS-69786b79-2
0.595
PET-UNK-94036022-9
0.595
MAT-POS-566864e2-2
0.595
MAT-POS-e75f6e44-1
0.595
MAT-POS-e75f6e44-5
0.595
EDJ-MED-6b23330e-6
0.593
MAT-POS-e75f6e44-6
0.593
MAT-POS-e75f6e44-16
0.591
ALP-POS-ecbed2ba-18
0.591
EDJ-MED-3707c4bc-1
0.591
ALP-POS-ecbed2ba-19
0.589
EDJ-MED-accc2c4d-2
0.589
MAT-POS-e75f6e44-2
0.589
MAT-POS-e75f6e44-3
0.589
MAT-POS-e75f6e44-14
0.588
ALP-POS-ecbed2ba-6
0.584
MAT-POS-e75f6e44-17
0.584
EDJ-MED-4138fde9-8
0.580
ALP-POS-ecbed2ba-10
0.580
MAT-POS-69786b79-4
0.579
MAT-POS-e75f6e44-12
0.579
MAT-POS-e75f6e44-13
0.579
MAT-POS-e75f6e44-15
0.579
EDJ-MED-4138fde9-7
0.578
MAT-POS-e75f6e44-8
0.578
MAT-POS-e75f6e44-9
0.578
EDJ-MED-accc2c4d-4
0.577
EDJ-MED-accc2c4d-3
0.577
MIK-ENA-5d9157e9-1
0.575
MIK-ENA-5d9157e9-2
0.575
ALP-POS-ecbed2ba-4
0.575
EDJ-MED-8bb691af-6
0.575
EDJ-MED-0d144977-3
0.575
EDJ-MED-cc48ee33-7
0.575
ALP-POS-c3a90b22-7
0.575
MAT-POS-e75f6e44-11
0.574
EDJ-MED-6b23330e-3
0.573
EDJ-MED-5cd3920d-5
0.570
VLA-UNK-61877630-10
0.570
EDJ-MED-5cd3920d-6
0.570
ALP-POS-ecbed2ba-17
0.570
EDJ-MED-40e596c8-2
0.570
ALP-POS-ecbed2ba-22
0.569
EDJ-MED-59d5ca70-2
0.569
MAT-POS-e75f6e44-18
0.569
MAT-POS-e75f6e44-20
0.569