Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N[C@@H]1CC12CC(O)C2 |
MW: | 491.16 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 100.55 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-5d65ec79-2
0.758
MAT-POS-f9802937-6
0.758
MAT-POS-f9802937-5
0.758
EDJ-MED-d203f206-34
0.738
EDG-MED-971238d3-10
0.727
RAL-THA-58fba2bc-1
0.727
MAT-POS-45b13633-4
0.727
EDJ-MED-d203f206-29
0.718
JAG-UCB-706446eb-7
0.718
CHO-MSK-a31cca77-1
0.704
EDJ-MED-d203f206-1
0.704
MAT-POS-5d65ec79-1
0.699
MAT-POS-f9802937-3
0.699
MAT-POS-f9802937-4
0.699
MAT-POS-45b13633-5
0.699
EDJ-MED-d203f206-13
0.691
EDJ-MED-d203f206-20
0.688
CHO-MSK-a31cca77-4
0.688
EDJ-MED-d203f206-2
0.688
EDJ-MED-d203f206-23
0.687
JAG-UCB-706446eb-6
0.682
EDJ-MED-d203f206-18
0.670
CHO-MSK-a31cca77-3
0.670
MAT-POS-45b13633-2
0.667
EDJ-MED-d203f206-43
0.667
MAT-POS-e6dd326d-2
0.667
EDJ-MED-d203f206-26
0.667
EDJ-MED-d203f206-4
0.664
ALP-UNI-8e43a71e-15
0.664
KAD-UNI-8a629cb0-23
0.664
ALP-UNI-3496895b-15
0.664
CHO-MSK-a31cca77-2
0.664
KAD-UNI-8a629cb0-35
0.664
RAL-THA-e002e396-1
0.663
EDG-MED-971238d3-2
0.663
MAT-POS-9db1e783-2
0.663
ALP-UNI-8e43a71e-4
0.659
ALP-UNI-3496895b-4
0.659
ALP-UNI-3496895b-5
0.658
ALP-POS-5bb456a5-1
0.658
ALP-POS-5bb456a5-2
0.658
ALP-POS-2da19ca7-7
0.658
ALP-UNI-8e43a71e-5
0.658
ALP-UNI-3496895b-16
0.658
EDJ-MED-d203f206-12
0.658
ALP-UNI-8e43a71e-16
0.658
EDG-MED-ba1ac7b9-3
0.658
EDG-MED-971238d3-5
0.657
MAT-POS-e6dd326d-1
0.657
MAT-POS-45b13633-1
0.657
MAT-POS-2bb0cf2b-1
0.657
KAD-UNI-8a629cb0-46
0.652
EDG-MED-ba1ac7b9-8
0.652
MAT-POS-78e1d523-2
0.651
KAD-UNI-8a629cb0-2
0.650
KAD-UNI-80f122c8-1
0.650
ALP-POS-67d5babe-2
0.650
ALP-UNI-76695c4f-1
0.650
EDJ-MED-d203f206-33
0.650
EDJ-MED-d203f206-11
0.650
KAD-UNI-8a629cb0-42
0.649
EDG-MED-ba1ac7b9-13
0.649
RAL-THA-e002e396-8
0.648
RAL-THA-e002e396-11
0.648
RAL-THA-e002e396-2
0.648
ALP-POS-2da19ca7-8
0.647
EDG-MED-ba1ac7b9-2
0.646
RAL-THA-e002e396-5
0.645
RAL-THA-58fba2bc-3
0.644
JAG-UCB-706446eb-3
0.644
EDG-MED-971238d3-3
0.644
EDG-MED-971238d3-9
0.644
EDG-MED-971238d3-6
0.644
EDJ-MED-d203f206-40
0.644
EDJ-MED-d203f206-28
0.642
RAL-THA-e002e396-6
0.642
MAT-POS-e6dd326d-9
0.642
EDJ-MED-f893e2a1-8
0.642
MAT-POS-e6dd326d-4
0.642
EDG-MED-ba1ac7b9-1
0.640
EDG-MED-ba1ac7b9-7
0.640
RAL-THA-e002e396-7
0.639
EDG-MED-ba1ac7b9-4
0.639
MAT-POS-45b13633-3
0.638
MAT-POS-e6dd326d-3
0.638
DAR-DIA-ecdbc7dd-13
0.638
ALP-UNI-76695c4f-6
0.638
KAD-UNI-80f122c8-2
0.638
ALP-UNI-8e43a71e-3
0.638
ALP-UNI-3496895b-3
0.638
KAD-UNI-8a629cb0-10
0.638
RAL-THA-e002e396-3
0.636
EDJ-MED-424a8a89-2
0.636
EDJ-MED-28ec730d-2
0.636
EDJ-MED-d203f206-19
0.635
MAT-POS-e6dd326d-5
0.633
EDG-MED-ba1ac7b9-6
0.632
ALP-POS-67d5babe-4
0.630
RAL-THA-e002e396-12
0.630
MAT-POS-e6dd326d-12
0.630