Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1(CNCC2(CO)CCC2)CCOc2ccc(Cl)cc21 |
| MW: | 465.18 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 7 |
| TPSA: | 83.48 |
| cLogP: | 4.3 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-e6dd326d-11
0.789
EDJ-MED-f893e2a1-8
0.787
MAT-POS-e6dd326d-10
0.765
MAT-POS-e6dd326d-2
0.763
MAT-POS-45b13633-2
0.763
EDJ-MED-40433386-4
0.750
MAT-POS-e6dd326d-13
0.747
EDJ-MED-15e90dfc-3
0.747
EDJ-MED-424a8a89-1
0.747
EDJ-MED-f893e2a1-4
0.745
EDJ-MED-424a8a89-2
0.742
EDG-MED-971238d3-2
0.742
MAT-POS-9db1e783-2
0.742
EDJ-MED-15e90dfc-7
0.740
EDJ-MED-f893e2a1-2
0.738
MAT-POS-e6dd326d-4
0.732
MAT-POS-e6dd326d-9
0.732
EDJ-MED-8c98ee63-1
0.725
EDJ-MED-15e90dfc-4
0.721
EDG-MED-971238d3-3
0.719
RAL-THA-58fba2bc-3
0.719
MAT-POS-e6dd326d-8
0.717
MAT-POS-e6dd326d-12
0.717
EDJ-MED-f893e2a1-10
0.712
MAT-POS-e6dd326d-6
0.710
EDJ-MED-f893e2a1-7
0.708
EDJ-MED-15e90dfc-1
0.705
EDJ-MED-f893e2a1-1
0.705
MAT-POS-e6dd326d-5
0.703
EDG-MED-971238d3-10
0.701
RAL-THA-58fba2bc-1
0.701
MAT-POS-45b13633-4
0.701
EDG-MED-971238d3-9
0.701
JAG-UCB-706446eb-3
0.701
MAT-POS-2bb0cf2b-1
0.698
MAT-POS-e6dd326d-1
0.698
EDG-MED-971238d3-5
0.698
MAT-POS-45b13633-1
0.698
DAR-DIA-ecdbc7dd-4
0.697
EDJ-MED-40433386-10
0.696
DAR-DIA-ecdbc7dd-16
0.696
EDJ-MED-f893e2a1-6
0.692
EDJ-MED-8c98ee63-2
0.692
KAD-UNI-b13decd3-3
0.692
MAT-POS-61f37a1a-3
0.692
KAD-UNI-cb0f2bbc-22
0.692
EDJ-MED-15e90dfc-6
0.692
MAT-POS-24589f88-12
0.692
EDJ-MED-4c7486ba-1
0.689
EDJ-MED-4c7486ba-4
0.689
EDG-MED-70ae9412-2
0.689
MAT-POS-e6dd326d-7
0.689
RAL-THA-e002e396-1
0.687
RAL-THA-e002e396-11
0.687
EDG-MED-971238d3-6
0.684
EDJ-MED-f893e2a1-9
0.683
EDJ-MED-15e90dfc-5
0.683
EDG-MED-971238d3-8
0.680
EDJ-MED-40433386-5
0.679
DAR-DIA-ecdbc7dd-13
0.677
MAT-POS-e6dd326d-3
0.677
MAT-POS-45b13633-3
0.677
EDJ-MED-15e90dfc-2
0.676
MAT-POS-45b13633-5
0.673
RAL-THA-e002e396-2
0.670
RAL-THA-e002e396-13
0.670
RAL-THA-e002e396-8
0.670
EDJ-MED-40433386-3
0.670
EDJ-MED-4c7486ba-9
0.670
EDJ-MED-4c7486ba-12
0.670
MAT-POS-3b97339c-1
0.670
EDJ-MED-fcba3f31-2
0.670
EDJ-MED-40433386-7
0.670
KAD-UNI-b13decd3-4
0.670
MAT-POS-7174c657-4
0.670
MAT-POS-24589f88-9
0.670
DAR-DIA-ecdbc7dd-3
0.667
ALP-POS-477dc5b7-3
0.667
MAT-POS-5f1400cf-2
0.664
KAD-UNI-b13decd3-6
0.664
MAT-POS-f9802937-5
0.663
MAT-POS-5d65ec79-2
0.663
MAT-POS-f9802937-6
0.663
EDG-MED-971238d3-7
0.663
RAL-THA-e002e396-6
0.663
KAD-UNI-cb0f2bbc-16
0.661
MAT-POS-61f37a1a-6
0.661
KAD-UNI-cb0f2bbc-15
0.661
KAD-UNI-cb0f2bbc-18
0.661
KAD-UNI-b13decd3-9
0.661
MAT-POS-61f37a1a-9
0.661
EDJ-MED-40433386-8
0.661
RAL-THA-e002e396-7
0.660
MAT-POS-61f37a1a-1
0.658
KAD-UNI-cb0f2bbc-10
0.658
ALP-UNI-0676e700-3
0.658
MAT-POS-e6dd326d-14
0.657
MAT-POS-5d65ec79-1
0.657
MAT-POS-f9802937-4
0.657
MAT-POS-f9802937-3
0.657