Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1(CNc2ccn[nH]2)CCOc2ccc(Cl)cc21 |
| MW: | 433.13 |
| Fraction sp3: | 0.17 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 91.93 |
| cLogP: | 4.38 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-e6dd326d-2
0.747
MAT-POS-45b13633-2
0.747
EDJ-MED-15e90dfc-1
0.740
EDJ-MED-f893e2a1-1
0.740
EDJ-MED-15e90dfc-5
0.735
MAT-POS-e6dd326d-9
0.735
JAG-UCB-706446eb-6
0.724
MAT-POS-e6dd326d-8
0.720
MAT-POS-e6dd326d-12
0.720
MAT-POS-e6dd326d-4
0.717
EDJ-MED-f893e2a1-8
0.717
DAR-DIA-ecdbc7dd-16
0.716
MAT-POS-e6dd326d-6
0.713
EDJ-MED-424a8a89-2
0.710
EDJ-MED-4c7486ba-4
0.709
EDG-MED-70ae9412-2
0.709
EDJ-MED-4c7486ba-1
0.709
MAT-POS-e6dd326d-14
0.708
MAT-POS-e6dd326d-11
0.703
EDJ-MED-424a8a89-1
0.699
EDJ-MED-40433386-10
0.699
EDJ-MED-15e90dfc-3
0.699
MAT-POS-e6dd326d-7
0.692
EDG-MED-971238d3-2
0.691
MAT-POS-9db1e783-2
0.691
MAT-POS-e6dd326d-5
0.689
RAL-THA-58fba2bc-3
0.687
EDG-MED-971238d3-3
0.687
EDJ-MED-40433386-4
0.686
MAT-POS-e6dd326d-1
0.684
MAT-POS-45b13633-1
0.684
MAT-POS-2bb0cf2b-1
0.684
EDG-MED-971238d3-5
0.684
MAT-POS-e6dd326d-13
0.683
MAT-POS-e6dd326d-10
0.683
DAR-DIA-ecdbc7dd-13
0.680
EDJ-MED-15e90dfc-7
0.676
EDJ-MED-f893e2a1-3
0.676
EDJ-MED-4c7486ba-9
0.673
EDJ-MED-4c7486ba-12
0.673
EDJ-MED-40433386-3
0.673
MAT-POS-3b97339c-1
0.673
EDJ-MED-40433386-7
0.673
RAL-THA-58fba2bc-1
0.670
MAT-POS-45b13633-4
0.670
EDG-MED-971238d3-9
0.670
JAG-UCB-706446eb-3
0.670
EDG-MED-971238d3-6
0.670
EDG-MED-971238d3-10
0.670
ALP-POS-477dc5b7-3
0.670
EDJ-MED-f893e2a1-9
0.670
EDJ-MED-40433386-5
0.667
EDJ-MED-f893e2a1-10
0.667
EDJ-MED-40433386-2
0.664
EDJ-MED-4c7486ba-8
0.664
EDJ-MED-4c7486ba-11
0.664
MAT-POS-3b97339c-3
0.664
EDJ-MED-15e90dfc-6
0.664
EDJ-MED-f893e2a1-6
0.664
EDJ-MED-8c98ee63-1
0.664
MAT-POS-e6dd326d-3
0.663
MAT-POS-45b13633-3
0.663
EDJ-MED-15e90dfc-4
0.661
EDJ-MED-4c7486ba-3
0.658
EDJ-MED-4c7486ba-6
0.658
RAL-THA-e002e396-2
0.657
RAL-THA-e002e396-11
0.657
RAL-THA-e002e396-1
0.657
ALP-UNI-0676e700-11
0.652
EDJ-MED-f893e2a1-4
0.651
DAR-DIA-ecdbc7dd-4
0.650
RAL-THA-e002e396-6
0.650
EDG-MED-971238d3-7
0.650
EDG-MED-971238d3-8
0.650
MAT-POS-f9802937-5
0.650
MAT-POS-5d65ec79-2
0.650
MAT-POS-f9802937-6
0.650
ALP-UNI-0676e700-24
0.649
ALP-UNI-0676e700-7
0.649
EDJ-MED-40433386-8
0.649
KAD-UNI-cb0f2bbc-22
0.649
MAT-POS-61f37a1a-3
0.649
EDJ-MED-f893e2a1-7
0.649
ALP-UNI-0676e700-22
0.647
KAD-UNI-8a629cb0-45
0.647
EDJ-MED-f893e2a1-2
0.645
MAT-POS-f9802937-3
0.644
MAT-POS-45b13633-5
0.644
MAT-POS-5d65ec79-1
0.644
MAT-POS-f9802937-4
0.644
EDJ-MED-28ec730d-2
0.644
EDG-MED-70ae9412-1
0.643
EDJ-MED-4c7486ba-2
0.643
EDJ-MED-4c7486ba-5
0.643
RAL-THA-e002e396-8
0.642
RAL-THA-e002e396-5
0.638
DAR-DIA-ecdbc7dd-3
0.638
RAL-THA-e002e396-12
0.638
KAD-UNI-8a629cb0-41
0.637
ALP-UNI-0676e700-19
0.637