Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CNCc2c[nH]c(=O)o2)CCOc2ccc(Cl)cc21 |
MW: | 464.13 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 109.25 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-f893e2a1-8
0.733
EDJ-MED-f893e2a1-1
0.722
EDJ-MED-15e90dfc-1
0.722
MAT-POS-e6dd326d-11
0.718
MAT-POS-e6dd326d-13
0.714
MAT-POS-e6dd326d-2
0.710
MAT-POS-45b13633-2
0.710
EDJ-MED-f893e2a1-6
0.709
EDJ-MED-f893e2a1-3
0.708
EDJ-MED-15e90dfc-4
0.706
EDJ-MED-15e90dfc-3
0.698
EDJ-MED-424a8a89-1
0.698
MAT-POS-e6dd326d-10
0.698
EDJ-MED-8c98ee63-2
0.694
EDJ-MED-15e90dfc-6
0.694
KAD-UNI-b13decd3-3
0.694
MAT-POS-24589f88-12
0.694
KAD-UNI-cb0f2bbc-15
0.693
EDJ-MED-424a8a89-2
0.692
EDJ-MED-15e90dfc-7
0.692
MAT-POS-2bb0cf2b-1
0.683
MAT-POS-e6dd326d-1
0.683
EDG-MED-971238d3-5
0.683
MAT-POS-45b13633-1
0.683
MAT-POS-e6dd326d-9
0.683
MAT-POS-e6dd326d-4
0.683
EDJ-MED-8c98ee63-1
0.679
KAD-UNI-cb0f2bbc-2
0.675
EDG-MED-971238d3-6
0.670
MAT-POS-e6dd326d-12
0.670
MAT-POS-e6dd326d-8
0.670
EDJ-MED-40433386-4
0.670
EDJ-MED-40433386-10
0.667
DAR-DIA-ecdbc7dd-16
0.667
EDJ-MED-f893e2a1-4
0.667
EDJ-MED-f893e2a1-10
0.667
MAT-POS-24589f88-15
0.664
KAD-UNI-cb0f2bbc-1
0.664
KAD-UNI-cb0f2bbc-18
0.664
KAD-UNI-b13decd3-9
0.664
MAT-POS-61f37a1a-9
0.664
KAD-UNI-cb0f2bbc-22
0.664
MAT-POS-61f37a1a-3
0.664
MAT-POS-e6dd326d-6
0.664
EDJ-MED-f893e2a1-2
0.661
EDJ-MED-4c7486ba-1
0.661
EDG-MED-70ae9412-2
0.661
EDJ-MED-4c7486ba-4
0.661
MAT-POS-24589f88-9
0.658
KAD-UNI-b13decd3-4
0.658
KAD-UNI-b13decd3-12
0.658
MAT-POS-7174c657-4
0.658
MAT-POS-e6dd326d-5
0.657
MAT-POS-9db1e783-2
0.657
EDG-MED-971238d3-2
0.657
EDG-MED-971238d3-3
0.654
RAL-THA-58fba2bc-3
0.654
JAG-UCB-706446eb-3
0.654
EDG-MED-971238d3-9
0.654
MAT-POS-24589f88-13
0.653
KAD-UNI-cb0f2bbc-23
0.653
KAD-UNI-b13decd3-6
0.653
MAT-POS-7174c657-1
0.653
MAT-POS-5f1400cf-2
0.653
DAR-DIA-ecdbc7dd-4
0.651
EDJ-MED-15e90dfc-2
0.649
DAR-DIA-ecdbc7dd-13
0.648
KAD-UNI-cb0f2bbc-19
0.648
MAT-POS-a3f7f96a-8
0.648
KAD-UNI-b13decd3-2
0.648
KAD-UNI-b13decd3-10
0.647
MAT-POS-e6dd326d-7
0.645
EDJ-MED-f893e2a1-5
0.645
EDJ-MED-4c7486ba-6
0.643
EDJ-MED-4c7486ba-3
0.643
KAD-UNI-cb0f2bbc-13
0.642
MAT-POS-61f37a1a-15
0.642
RAL-THA-e002e396-11
0.642
EDJ-MED-f893e2a1-9
0.640
EDJ-MED-15e90dfc-5
0.640
DAR-DIA-ecdbc7dd-3
0.639
MAT-POS-45b13633-4
0.638
EDG-MED-971238d3-10
0.638
RAL-THA-58fba2bc-1
0.638
EDJ-MED-40433386-5
0.637
MAT-POS-61f37a1a-6
0.636
KAD-UNI-cb0f2bbc-16
0.636
RAL-THA-e002e396-6
0.636
EDG-MED-971238d3-7
0.636
MAT-POS-45b13633-3
0.632
MAT-POS-e6dd326d-3
0.632
KAD-UNI-cb0f2bbc-4
0.632
KAD-UNI-b13decd3-7
0.631
MAT-POS-a3f7f96a-9
0.631
KAD-UNI-cb0f2bbc-9
0.631
KAD-UNI-b13decd3-11
0.631
MAT-POS-24589f88-4
0.629
KAD-UNI-b13decd3-5
0.629
EDJ-MED-4c7486ba-9
0.628
EDJ-MED-40433386-7
0.628