Molecular Properties | |
SMILES: | NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 519.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 117.86 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-76695c4f-6
0.882
ALP-UNI-8e43a71e-3
0.882
ALP-UNI-3496895b-3
0.882
KAD-UNI-80f122c8-2
0.882
KAD-UNI-8a629cb0-10
0.882
EDG-MED-ba1ac7b9-13
0.863
EDG-MED-ba1ac7b9-23
0.800
EDJ-MED-d203f206-33
0.773
EDG-MED-ba1ac7b9-1
0.766
EDJ-MED-d203f206-22
0.745
EDG-MED-ba1ac7b9-2
0.741
EDG-MED-ba1ac7b9-7
0.734
EDJ-MED-d203f206-30
0.732
EDJ-MED-d203f206-8
0.726
EDJ-MED-d203f206-38
0.717
EDG-MED-ba1ac7b9-15
0.717
EDJ-MED-d203f206-41
0.714
RAL-THA-58fba2bc-1
0.713
EDG-MED-971238d3-10
0.713
MAT-POS-45b13633-4
0.713
EDJ-MED-d203f206-42
0.704
EDG-MED-ba1ac7b9-18
0.701
MAT-POS-5d65ec79-2
0.692
MAT-POS-f9802937-6
0.692
EDG-MED-ba1ac7b9-27
0.692
MAT-POS-f9802937-5
0.692
EDG-MED-ba1ac7b9-26
0.692
EDJ-MED-d203f206-15
0.690
MAT-POS-45b13633-5
0.686
MAT-POS-5d65ec79-1
0.686
MAT-POS-f9802937-4
0.686
MAT-POS-f9802937-3
0.686
EDJ-MED-d203f206-26
0.684
EDJ-MED-d203f206-43
0.684
EDJ-MED-d203f206-19
0.681
KAD-UNI-8a629cb0-8
0.681
ALP-UNI-76695c4f-5
0.681
EDJ-MED-d203f206-16
0.681
EDG-MED-ba1ac7b9-12
0.681
EDG-MED-ba1ac7b9-32
0.675
EDJ-MED-d203f206-37
0.673
EDG-MED-ba1ac7b9-20
0.672
ALP-UNI-3496895b-6
0.669
KAD-UNI-8a629cb0-15
0.669
ALP-UNI-76695c4f-7
0.669
KAD-UNI-80f122c8-4
0.669
EDG-MED-ba1ac7b9-25
0.669
ALP-UNI-8e43a71e-6
0.669
EDG-MED-ba1ac7b9-4
0.669
EDJ-MED-d203f206-14
0.669
EDG-MED-ba1ac7b9-19
0.669
ALP-UNI-76695c4f-10
0.667
ALP-UNI-3496895b-2
0.667
EDJ-MED-d203f206-11
0.667
EDJ-MED-d203f206-25
0.667
EDJ-MED-d203f206-27
0.667
EDJ-MED-d203f206-39
0.667
ALP-UNI-8e43a71e-2
0.667
KAD-UNI-8a629cb0-31
0.667
EDJ-MED-d203f206-31
0.664
EDJ-MED-d203f206-34
0.664
EDG-MED-ba1ac7b9-11
0.661
EDG-MED-ba1ac7b9-10
0.661
EDJ-MED-d203f206-36
0.661
EDJ-MED-d203f206-10
0.661
EDJ-MED-d203f206-40
0.661
EDG-MED-ba1ac7b9-3
0.661
MAT-POS-e6dd326d-1
0.660
MAT-POS-2bb0cf2b-1
0.660
MAT-POS-45b13633-1
0.660
EDG-MED-971238d3-5
0.660
ALP-UNI-8e43a71e-1
0.659
ALP-UNI-3496895b-1
0.659
ALP-UNI-3496895b-9
0.658
KAD-UNI-8a629cb0-17
0.658
KAD-UNI-80f122c8-5
0.658
ALP-UNI-76695c4f-8
0.658
ALP-UNI-8e43a71e-9
0.658
EDG-MED-ba1ac7b9-22
0.656
EDJ-MED-d203f206-3
0.656
EDG-MED-ba1ac7b9-14
0.655
ALP-POS-2da19ca7-5
0.655
ALP-POS-5bb456a5-5
0.655
ALP-POS-5bb456a5-6
0.655
EDG-MED-ba1ac7b9-8
0.655
EDG-MED-ba1ac7b9-28
0.653
EDG-MED-971238d3-2
0.650
MAT-POS-9db1e783-2
0.650
EDG-MED-ba1ac7b9-21
0.650
ALP-POS-2da19ca7-2
0.650
ALP-POS-5bb456a5-8
0.650
EDG-MED-ba1ac7b9-33
0.650
ALP-POS-5bb456a5-7
0.650
EDJ-MED-d203f206-7
0.649
EDJ-MED-d203f206-13
0.649
EDG-MED-971238d3-6
0.648
ALP-UNI-76695c4f-9
0.647
KAD-UNI-8a629cb0-21
0.647
ALP-UNI-3496895b-10
0.647
ALP-POS-67d5babe-4
0.647