Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1(CNCc2ccccn2)CCOc2ccc(Cl)cc21 |
| MW: | 458.15 |
| Fraction sp3: | 0.19 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 76.14 |
| cLogP: | 4.73 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-8c98ee63-2
0.755
EDJ-MED-f893e2a1-8
0.747
EDJ-MED-15e90dfc-1
0.736
EDJ-MED-f893e2a1-1
0.736
MAT-POS-e6dd326d-11
0.733
EDJ-MED-15e90dfc-5
0.731
MAT-POS-e6dd326d-2
0.724
MAT-POS-45b13633-2
0.724
EDJ-MED-f893e2a1-3
0.721
MAT-POS-e6dd326d-12
0.716
KAD-UNI-b13decd3-12
0.714
MAT-POS-e6dd326d-9
0.713
EDJ-MED-424a8a89-1
0.712
MAT-POS-e6dd326d-13
0.712
EDJ-MED-15e90dfc-3
0.712
EDJ-MED-40433386-10
0.712
MAT-POS-e6dd326d-10
0.712
KAD-UNI-b13decd3-6
0.708
MAT-POS-5f1400cf-2
0.708
EDJ-MED-f893e2a1-7
0.706
KAD-UNI-b13decd3-3
0.706
MAT-POS-24589f88-12
0.706
EDJ-MED-15e90dfc-7
0.705
EDJ-MED-f893e2a1-2
0.704
MAT-POS-e6dd326d-8
0.699
EDJ-MED-40433386-4
0.698
MAT-POS-e6dd326d-4
0.696
EDJ-MED-f893e2a1-4
0.694
MAT-POS-e6dd326d-6
0.692
EDJ-MED-8c98ee63-1
0.692
EDJ-MED-15e90dfc-6
0.691
MAT-POS-61f37a1a-9
0.690
KAD-UNI-cb0f2bbc-18
0.690
KAD-UNI-b13decd3-9
0.690
KAD-UNI-cb0f2bbc-16
0.690
MAT-POS-61f37a1a-6
0.690
EDJ-MED-424a8a89-2
0.689
KAD-UNI-cb0f2bbc-9
0.684
MAT-POS-a3f7f96a-9
0.684
KAD-UNI-cb0f2bbc-24
0.681
KAD-UNI-b13decd3-5
0.681
MAT-POS-61f37a1a-7
0.681
MAT-POS-24589f88-4
0.681
MAT-POS-2bb0cf2b-1
0.680
MAT-POS-e6dd326d-1
0.680
MAT-POS-45b13633-1
0.680
EDG-MED-971238d3-5
0.680
DAR-DIA-ecdbc7dd-16
0.679
EDJ-MED-f893e2a1-10
0.679
EDJ-MED-f893e2a1-6
0.676
KAD-UNI-cb0f2bbc-15
0.675
EDJ-MED-4c7486ba-4
0.673
EDJ-MED-4c7486ba-1
0.673
EDG-MED-70ae9412-2
0.673
MAT-POS-e6dd326d-7
0.673
KAD-UNI-b13decd3-10
0.672
EDG-MED-971238d3-2
0.670
MAT-POS-9db1e783-2
0.670
MAT-POS-e6dd326d-5
0.670
EDJ-MED-4c7486ba-9
0.670
EDJ-MED-4c7486ba-12
0.670
EDJ-MED-40433386-3
0.670
MAT-POS-3b97339c-1
0.670
EDJ-MED-40433386-7
0.670
KAD-UNI-b13decd3-4
0.670
MAT-POS-24589f88-9
0.670
MAT-POS-7174c657-4
0.670
KAD-UNI-cb0f2bbc-14
0.669
MAT-POS-61f37a1a-10
0.669
RAL-THA-58fba2bc-3
0.667
EDG-MED-971238d3-3
0.667
EDG-MED-971238d3-6
0.667
MAT-POS-7174c657-1
0.664
KAD-UNI-cb0f2bbc-23
0.664
MAT-POS-24589f88-13
0.664
RAL-THA-e002e396-4
0.664
EDJ-MED-40433386-8
0.661
MAT-POS-61f37a1a-3
0.661
KAD-UNI-cb0f2bbc-22
0.661
EDJ-MED-6d9ff7d0-6
0.661
EDJ-MED-15e90dfc-2
0.661
KAD-UNI-cb0f2bbc-2
0.658
MAT-POS-e6dd326d-14
0.658
EDJ-MED-f893e2a1-5
0.655
RAL-THA-e002e396-11
0.654
KAD-UNI-cb0f2bbc-5
0.653
MAT-POS-24589f88-7
0.653
EDJ-MED-f893e2a1-9
0.651
MAT-POS-45b13633-4
0.650
EDG-MED-971238d3-9
0.650
RAL-THA-58fba2bc-1
0.650
EDG-MED-971238d3-10
0.650
JAG-UCB-706446eb-3
0.650
EDJ-MED-40433386-5
0.649
EDG-MED-971238d3-7
0.648
KAD-UNI-cb0f2bbc-17
0.648
MAT-POS-61f37a1a-8
0.648
ALP-UNI-0676e700-21
0.647
MAT-POS-24589f88-8
0.645
MAT-POS-a3f7f96a-8
0.645