Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCC[C@H]1[C@@H](O)CO |
MW: | 509.17 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 111.99 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d203f206-22
0.752
EDJ-MED-d203f206-41
0.752
EDG-MED-ba1ac7b9-2
0.748
EDJ-MED-d203f206-42
0.726
EDG-MED-ba1ac7b9-1
0.726
EDJ-MED-d203f206-8
0.718
EDG-MED-ba1ac7b9-7
0.711
EDJ-MED-d203f206-30
0.709
EDJ-MED-d203f206-38
0.709
EDJ-MED-d203f206-19
0.704
ALP-UNI-8e43a71e-2
0.702
ALP-UNI-3496895b-2
0.702
EDJ-MED-d203f206-26
0.692
EDJ-MED-d203f206-43
0.692
EDG-MED-ba1ac7b9-13
0.690
KAD-UNI-8a629cb0-42
0.690
EDJ-MED-d203f206-33
0.689
EDG-MED-ba1ac7b9-12
0.689
EDJ-MED-d203f206-16
0.689
EDG-MED-ba1ac7b9-21
0.685
EDG-MED-ba1ac7b9-10
0.683
EDG-MED-ba1ac7b9-15
0.681
KAD-UNI-8a629cb0-10
0.678
ALP-UNI-3496895b-3
0.678
KAD-UNI-80f122c8-2
0.678
ALP-UNI-8e43a71e-3
0.678
ALP-UNI-76695c4f-6
0.678
RAL-THA-58fba2bc-1
0.673
MAT-POS-45b13633-4
0.673
EDG-MED-971238d3-10
0.673
EDG-MED-ba1ac7b9-27
0.672
EDG-MED-ba1ac7b9-26
0.672
MAT-POS-f9802937-5
0.670
MAT-POS-5d65ec79-2
0.670
MAT-POS-f9802937-6
0.670
EDG-MED-ba1ac7b9-11
0.669
EDG-MED-ba1ac7b9-20
0.667
EDJ-MED-d203f206-37
0.667
EDG-MED-ba1ac7b9-9
0.667
MAT-POS-45b13633-5
0.664
EDG-MED-ba1ac7b9-5
0.661
EDG-MED-ba1ac7b9-28
0.661
EDG-MED-ba1ac7b9-23
0.659
EDJ-MED-d203f206-40
0.656
EDJ-MED-d203f206-10
0.656
EDG-MED-ba1ac7b9-3
0.655
ALP-UNI-8e43a71e-1
0.654
ALP-UNI-3496895b-1
0.654
EDG-MED-ba1ac7b9-18
0.653
ALP-UNI-8e43a71e-9
0.653
EDJ-MED-d203f206-9
0.653
ALP-UNI-3496895b-9
0.653
KAD-UNI-8a629cb0-17
0.653
ALP-UNI-76695c4f-8
0.653
KAD-UNI-80f122c8-5
0.653
MAT-POS-f9802937-4
0.649
MAT-POS-5d65ec79-1
0.649
MAT-POS-f9802937-3
0.649
EDJ-MED-d203f206-27
0.648
EDJ-MED-d203f206-39
0.648
ALP-POS-67d5babe-3
0.643
EDG-MED-ba1ac7b9-32
0.642
ALP-POS-67d5babe-4
0.642
KAD-UNI-8a629cb0-33
0.642
EDG-MED-ba1ac7b9-31
0.640
ALP-UNI-8e43a71e-8
0.639
ALP-UNI-3496895b-8
0.639
EDG-MED-ba1ac7b9-30
0.639
EDG-MED-ba1ac7b9-19
0.638
EDJ-MED-d203f206-3
0.638
EDJ-MED-d203f206-14
0.638
ALP-POS-5bb456a5-5
0.637
ALP-POS-5bb456a5-6
0.637
ALP-POS-2da19ca7-5
0.637
EDG-MED-ba1ac7b9-25
0.637
EDG-MED-ba1ac7b9-4
0.637
EDG-MED-ba1ac7b9-8
0.636
KAD-UNI-8a629cb0-8
0.634
EDJ-MED-d203f206-25
0.634
ALP-UNI-76695c4f-5
0.634
KAD-UNI-8a629cb0-31
0.633
ALP-UNI-76695c4f-10
0.633
ALP-POS-2da19ca7-2
0.632
EDG-MED-ba1ac7b9-33
0.632
ALP-POS-5bb456a5-7
0.632
ALP-POS-5bb456a5-8
0.632
MAT-POS-9db1e783-2
0.630
EDG-MED-971238d3-2
0.630
EDJ-MED-d203f206-36
0.629
ALP-UNI-76695c4f-9
0.629
KAD-UNI-8a629cb0-21
0.629
ALP-UNI-3496895b-7
0.629
ALP-UNI-8e43a71e-7
0.629
ALP-UNI-8e43a71e-10
0.629
ALP-UNI-3496895b-10
0.629
ALP-POS-2da19ca7-1
0.629
ALP-POS-5bb456a5-10
0.629
ALP-POS-5bb456a5-9
0.629
DAR-DIA-ecdbc7dd-3
0.628
JAG-UCB-706446eb-7
0.628