Molecular Properties | |
SMILES: | NC(=O)[C@H]1CCCN1C(=O)C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 492.16 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 114.62 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d203f206-30
0.903
EDG-MED-ba1ac7b9-1
0.891
EDJ-MED-d203f206-8
0.775
EDJ-MED-d203f206-41
0.764
EDG-MED-ba1ac7b9-2
0.759
EDJ-MED-d203f206-33
0.759
EDJ-MED-d203f206-15
0.752
EDJ-MED-d203f206-42
0.752
KAD-UNI-8a629cb0-42
0.745
EDG-MED-ba1ac7b9-7
0.736
EDJ-MED-d203f206-16
0.726
EDG-MED-ba1ac7b9-12
0.726
EDJ-MED-d203f206-26
0.717
EDJ-MED-d203f206-43
0.717
EDG-MED-ba1ac7b9-13
0.714
EDJ-MED-d203f206-19
0.714
ALP-UNI-3496895b-2
0.712
ALP-UNI-8e43a71e-2
0.712
EDJ-MED-d203f206-27
0.712
MAT-POS-f9802937-6
0.712
MAT-POS-5d65ec79-2
0.712
MAT-POS-f9802937-5
0.712
EDJ-MED-d203f206-38
0.704
EDG-MED-ba1ac7b9-15
0.704
ALP-UNI-3496895b-3
0.702
KAD-UNI-80f122c8-2
0.702
KAD-UNI-8a629cb0-10
0.702
ALP-UNI-76695c4f-6
0.702
ALP-UNI-8e43a71e-3
0.702
RAL-THA-58fba2bc-1
0.699
EDG-MED-971238d3-10
0.699
MAT-POS-45b13633-4
0.699
EDG-MED-ba1ac7b9-21
0.694
EDJ-MED-d203f206-10
0.692
EDG-MED-ba1ac7b9-10
0.692
EDG-MED-ba1ac7b9-11
0.692
EDG-MED-ba1ac7b9-9
0.689
EDG-MED-ba1ac7b9-19
0.686
EDG-MED-ba1ac7b9-22
0.685
EDJ-MED-d203f206-39
0.684
EDG-MED-ba1ac7b9-27
0.681
EDG-MED-ba1ac7b9-32
0.678
ALP-POS-67d5babe-3
0.678
EDJ-MED-d203f206-37
0.675
KAD-UNI-80f122c8-5
0.675
ALP-UNI-8e43a71e-9
0.675
KAD-UNI-8a629cb0-17
0.675
ALP-UNI-76695c4f-8
0.675
ALP-UNI-3496895b-9
0.675
ALP-UNI-76695c4f-2
0.675
ALP-POS-2da19ca7-4
0.675
KAD-UNI-8a629cb0-5
0.675
EDG-MED-ba1ac7b9-20
0.675
ALP-UNI-8e43a71e-1
0.675
ALP-UNI-3496895b-1
0.675
MAT-POS-f9802937-3
0.673
MAT-POS-f9802937-4
0.673
MAT-POS-45b13633-5
0.673
MAT-POS-5d65ec79-1
0.673
ALP-POS-2da19ca7-5
0.672
ALP-POS-5bb456a5-6
0.672
ALP-POS-5bb456a5-5
0.672
EDJ-MED-d203f206-14
0.672
ALP-UNI-76695c4f-5
0.669
KAD-UNI-8a629cb0-8
0.669
EDG-MED-ba1ac7b9-28
0.669
EDG-MED-ba1ac7b9-23
0.667
EDG-MED-ba1ac7b9-26
0.667
EDJ-MED-d203f206-36
0.664
EDJ-MED-d203f206-40
0.664
ALP-POS-67d5babe-4
0.664
JAG-UCB-706446eb-7
0.664
EDG-MED-ba1ac7b9-3
0.664
EDG-MED-ba1ac7b9-31
0.661
EDG-MED-ba1ac7b9-18
0.661
EDJ-MED-d203f206-9
0.661
EDJ-MED-d203f206-3
0.659
EDG-MED-ba1ac7b9-4
0.658
EDG-MED-ba1ac7b9-8
0.658
EDJ-MED-d203f206-21
0.656
EDJ-MED-d203f206-25
0.655
ALP-UNI-76695c4f-10
0.655
KAD-UNI-8a629cb0-31
0.655
ALP-POS-2da19ca7-2
0.653
ALP-POS-5bb456a5-7
0.653
EDG-MED-ba1ac7b9-33
0.653
ALP-POS-5bb456a5-8
0.653
EDJ-MED-d203f206-31
0.653
EDG-MED-971238d3-6
0.651
ALP-POS-5bb456a5-9
0.650
KAD-UNI-8a629cb0-21
0.650
ALP-UNI-76695c4f-9
0.650
ALP-UNI-3496895b-10
0.650
ALP-POS-5bb456a5-10
0.650
ALP-UNI-8e43a71e-10
0.650
ALP-POS-2da19ca7-1
0.650
DAR-DIA-ecdbc7dd-4
0.648
MAT-POS-45b13633-1
0.648
EDG-MED-971238d3-5
0.648
MAT-POS-2bb0cf2b-1
0.648