Molecule Details
| Molecular Properties | |
| SMILES: | O=C1CC(CNCC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CN1 |
| MW: | 464.16 |
| Fraction sp3: | 0.32 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 6 |
| TPSA: | 92.35 |
| cLogP: | 3.27 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-15e90dfc-6
0.774
MAT-POS-e6dd326d-11
0.735
EDJ-MED-f893e2a1-8
0.733
MAT-POS-e6dd326d-2
0.727
MAT-POS-45b13633-2
0.727
EDJ-MED-f893e2a1-7
0.709
EDJ-MED-15e90dfc-7
0.708
MAT-POS-e6dd326d-9
0.699
MAT-POS-e6dd326d-13
0.698
DAR-DIA-ecdbc7dd-16
0.698
EDJ-MED-15e90dfc-3
0.698
EDJ-MED-424a8a89-1
0.698
MAT-POS-e6dd326d-10
0.698
EDJ-MED-f893e2a1-3
0.692
EDJ-MED-15e90dfc-1
0.691
EDJ-MED-f893e2a1-1
0.691
MAT-POS-e6dd326d-8
0.686
MAT-POS-e6dd326d-12
0.686
MAT-POS-e6dd326d-4
0.683
MAT-POS-e6dd326d-6
0.679
EDJ-MED-8c98ee63-1
0.679
KAD-UNI-cb0f2bbc-20
0.678
KAD-UNI-b13decd3-1
0.678
MAT-POS-5f1400cf-1
0.678
EDJ-MED-424a8a89-2
0.676
EDJ-MED-15e90dfc-4
0.676
RAL-THA-58fba2bc-3
0.670
EDG-MED-971238d3-3
0.670
EDJ-MED-40433386-4
0.670
EDJ-MED-40433386-10
0.667
EDJ-MED-f893e2a1-10
0.667
EDJ-MED-f893e2a1-4
0.667
ALP-UNI-0676e700-24
0.664
KAD-UNI-cb0f2bbc-22
0.664
MAT-POS-61f37a1a-3
0.664
EDJ-MED-15e90dfc-2
0.664
EDJ-MED-f893e2a1-2
0.661
MAT-POS-e6dd326d-7
0.661
EDJ-MED-4c7486ba-1
0.661
EDJ-MED-4c7486ba-4
0.661
EDG-MED-70ae9412-2
0.661
EDJ-MED-4c7486ba-3
0.658
EDJ-MED-4c7486ba-6
0.658
EDJ-MED-40433386-3
0.658
EDJ-MED-4c7486ba-9
0.658
EDJ-MED-4c7486ba-12
0.658
MAT-POS-3b97339c-1
0.658
EDJ-MED-40433386-7
0.658
MAT-POS-e6dd326d-5
0.657
EDG-MED-971238d3-2
0.657
MAT-POS-9db1e783-2
0.657
EDJ-MED-f893e2a1-9
0.655
EDJ-MED-15e90dfc-5
0.655
ALP-POS-477dc5b7-3
0.654
EDJ-MED-40433386-5
0.652
MAT-POS-e6dd326d-1
0.650
EDG-MED-971238d3-5
0.650
MAT-POS-45b13633-1
0.650
MAT-POS-2bb0cf2b-1
0.650
EDJ-MED-40433386-8
0.649
MAT-POS-24589f88-12
0.649
EDJ-MED-8c98ee63-2
0.649
KAD-UNI-b13decd3-3
0.649
MAT-POS-45b13633-3
0.648
MAT-POS-e6dd326d-3
0.648
KAD-UNI-cb0f2bbc-2
0.647
RAL-THA-e002e396-11
0.642
RAL-THA-58fba2bc-1
0.638
MAT-POS-45b13633-4
0.638
EDG-MED-971238d3-9
0.638
JAG-UCB-706446eb-3
0.638
EDG-MED-971238d3-6
0.638
EDG-MED-971238d3-10
0.638
KAD-UNI-cb0f2bbc-1
0.637
MAT-POS-24589f88-15
0.637
KAD-UNI-cb0f2bbc-15
0.636
KAD-UNI-cb0f2bbc-18
0.636
MAT-POS-61f37a1a-9
0.636
ALP-UNI-0676e700-3
0.632
DAR-DIA-ecdbc7dd-13
0.632
MAT-POS-e6dd326d-14
0.632
KAD-UNI-b13decd3-12
0.630
EDJ-MED-28ec730d-2
0.630
EDJ-MED-4c7486ba-2
0.629
EDJ-MED-4c7486ba-5
0.629
EDG-MED-70ae9412-1
0.629
RAL-THA-e002e396-2
0.626
RAL-THA-e002e396-1
0.626
KAD-UNI-8a629cb0-41
0.624
ALP-UNI-0676e700-19
0.624
ALP-UNI-0676e700-7
0.622
ALP-UNI-0676e700-13
0.622
KAD-UNI-b13decd3-9
0.622
KAD-UNI-cb0f2bbc-19
0.621
MAT-POS-a3f7f96a-8
0.621
VLA-UCB-34f3ed0c-21
0.621
EDG-MED-971238d3-7
0.620
RAL-THA-e002e396-6
0.620
EDG-MED-971238d3-8
0.620
MAT-POS-f9802937-5
0.620