Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCOc2ccc(Cl)cc21 |
MW: | 437.15 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.69 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-13
0.885
DAR-DIA-ecdbc7dd-4
0.865
DAR-DIA-ecdbc7dd-3
0.846
DAR-DIA-ecdbc7dd-11
0.828
DAR-DIA-ecdbc7dd-18
0.811
DAR-DIA-ecdbc7dd-2
0.811
MAT-POS-9db1e783-2
0.720
EDG-MED-971238d3-2
0.720
MAT-POS-45b13633-1
0.713
EDG-MED-971238d3-5
0.713
MAT-POS-e6dd326d-1
0.713
MAT-POS-2bb0cf2b-1
0.713
RAL-THA-e002e396-9
0.709
MAT-POS-e6dd326d-2
0.705
MAT-POS-45b13633-2
0.705
RAL-THA-58fba2bc-1
0.698
MAT-POS-45b13633-4
0.698
RAL-THA-58fba2bc-3
0.698
EDG-MED-971238d3-6
0.698
JAG-UCB-706446eb-3
0.698
EDG-MED-971238d3-9
0.698
EDG-MED-971238d3-3
0.698
EDG-MED-971238d3-10
0.698
MAT-POS-e6dd326d-3
0.691
MAT-POS-45b13633-3
0.691
MAT-POS-61f37a1a-9
0.688
KAD-UNI-cb0f2bbc-18
0.688
MAT-POS-45b13633-5
0.687
EDJ-MED-424a8a89-2
0.687
RAL-THA-e002e396-11
0.684
RAL-THA-e002e396-1
0.684
RAL-THA-e002e396-2
0.684
MAT-POS-e6dd326d-8
0.680
DAR-DIA-ecdbc7dd-10
0.680
EDJ-MED-f893e2a1-9
0.680
MAT-POS-f9802937-5
0.677
EDJ-MED-f893e2a1-8
0.677
MAT-POS-e6dd326d-4
0.677
MAT-POS-e6dd326d-9
0.677
EDG-MED-971238d3-8
0.677
MAT-POS-5d65ec79-2
0.677
MAT-POS-f9802937-6
0.677
RAL-THA-e002e396-6
0.677
EDG-MED-971238d3-7
0.677
MAT-POS-f9802937-3
0.670
MAT-POS-5d65ec79-1
0.670
MAT-POS-f9802937-4
0.670
EDJ-MED-28ec730d-2
0.670
RAL-THA-e002e396-5
0.663
RAL-THA-e002e396-12
0.663
MAT-POS-e6dd326d-11
0.663
MAT-POS-e6dd326d-12
0.663
ALP-POS-477dc5b7-3
0.663
DAR-DIA-ecdbc7dd-16
0.660
DAR-DIA-ecdbc7dd-1
0.657
MAT-POS-e6dd326d-6
0.657
RAL-THA-e002e396-7
0.657
KAD-UNI-8a629cb0-39
0.654
EDJ-MED-28ec730d-1
0.650
RAL-THA-e002e396-13
0.650
MAT-POS-e6dd326d-5
0.650
RAL-THA-e002e396-8
0.650
JAG-UCB-706446eb-4
0.644
EDJ-MED-40433386-10
0.644
MAT-POS-e6dd326d-13
0.644
EDJ-MED-15e90dfc-3
0.644
MAT-POS-e6dd326d-10
0.644
DAR-DIA-6a508060-13
0.644
JAG-UCB-706446eb-2
0.644
EDJ-MED-424a8a89-1
0.644
EDJ-MED-fcba3f31-7
0.642
EDJ-MED-d203f206-37
0.642
EDJ-MED-fcba3f31-5
0.642
EDJ-MED-fcba3f31-4
0.642
KAD-UNI-8a629cb0-26
0.639
EDG-MED-70ae9412-2
0.638
RAL-THA-e002e396-3
0.638
EDJ-MED-15e90dfc-7
0.638
MAT-POS-e6dd326d-7
0.638
EDJ-MED-4c7486ba-1
0.638
EDJ-MED-f893e2a1-3
0.638
ALP-POS-9c80c481-1
0.638
EDJ-MED-4c7486ba-4
0.638
KAD-UNI-8a629cb0-27
0.636
JAG-UCB-706446eb-8
0.636
EDJ-MED-fcba3f31-2
0.636
RAL-THA-e002e396-10
0.633
EDG-MED-ba1ac7b9-2
0.633
EDJ-MED-15e90dfc-5
0.632
EDJ-MED-40433386-4
0.632
EDG-MED-ba1ac7b9-32
0.632
EDJ-MED-fcba3f31-8
0.630
EDJ-MED-d203f206-2
0.630
CHO-MSK-a31cca77-4
0.630
EDJ-MED-d203f206-38
0.628
EDG-MED-ba1ac7b9-7
0.627
EDG-MED-ba1ac7b9-1
0.627
EDJ-MED-15e90dfc-2
0.626
EDJ-MED-8c98ee63-1
0.626
MAT-POS-fc9ede84-1
0.626