Molecular Properties | |
SMILES: | NC(=O)NC[C@@H]1CCCN(C(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)C1 |
MW: | 535.2 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 126.65 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-67d5babe-3
0.788
EDJ-MED-d203f206-26
0.772
EDJ-MED-d203f206-43
0.772
EDJ-MED-d203f206-39
0.723
EDJ-MED-d203f206-21
0.720
EDJ-MED-d203f206-22
0.712
EDJ-MED-d203f206-40
0.702
EDJ-MED-d203f206-10
0.702
EDG-MED-ba1ac7b9-1
0.701
EDJ-MED-d203f206-8
0.694
EDJ-MED-d203f206-25
0.694
ALP-UNI-76695c4f-8
0.686
KAD-UNI-80f122c8-5
0.686
ALP-UNI-8e43a71e-9
0.686
KAD-UNI-8a629cb0-17
0.686
ALP-UNI-3496895b-9
0.686
EDJ-MED-d203f206-41
0.683
EDG-MED-ba1ac7b9-14
0.683
EDG-MED-ba1ac7b9-25
0.683
EDG-MED-ba1ac7b9-4
0.683
KAD-UNI-8a629cb0-7
0.680
KAD-UNI-80f122c8-3
0.680
EDJ-MED-d203f206-35
0.680
ALP-UNI-76695c4f-4
0.680
EDG-MED-ba1ac7b9-2
0.678
EDJ-MED-d203f206-36
0.675
ALP-POS-67d5babe-4
0.675
EDJ-MED-d203f206-37
0.672
EDG-MED-ba1ac7b9-7
0.672
EDJ-MED-d203f206-9
0.672
EDJ-MED-d203f206-30
0.672
EDG-MED-ba1ac7b9-15
0.672
EDG-MED-ba1ac7b9-31
0.672
ALP-UNI-3496895b-6
0.669
ALP-UNI-8e43a71e-6
0.669
ALP-POS-5bb456a5-5
0.669
KAD-UNI-80f122c8-4
0.669
ALP-POS-2da19ca7-5
0.669
ALP-POS-5bb456a5-6
0.669
KAD-UNI-8a629cb0-15
0.669
ALP-UNI-76695c4f-7
0.669
KAD-UNI-8a629cb0-42
0.667
ALP-UNI-76695c4f-5
0.667
EDJ-MED-d203f206-19
0.667
EDG-MED-ba1ac7b9-28
0.667
KAD-UNI-8a629cb0-8
0.667
EDJ-MED-d203f206-42
0.661
EDG-MED-ba1ac7b9-32
0.661
ALP-UNI-76695c4f-2
0.659
ALP-POS-2da19ca7-4
0.659
KAD-UNI-8a629cb0-5
0.659
ALP-UNI-8e43a71e-11
0.656
ALP-UNI-3496895b-11
0.656
EDJ-MED-d203f206-16
0.654
EDG-MED-ba1ac7b9-12
0.654
ALP-UNI-76695c4f-10
0.653
KAD-UNI-8a629cb0-31
0.653
ALP-POS-5bb456a5-7
0.651
ALP-POS-5bb456a5-8
0.651
ALP-POS-2da19ca7-2
0.651
EDG-MED-ba1ac7b9-33
0.651
RAL-THA-58fba2bc-1
0.649
EDG-MED-971238d3-10
0.649
MAT-POS-45b13633-4
0.649
ALP-POS-5bb456a5-10
0.648
EDJ-MED-d203f206-15
0.648
ALP-POS-2da19ca7-1
0.648
ALP-POS-5bb456a5-9
0.648
JAG-UCB-706446eb-7
0.648
MAT-POS-5d65ec79-2
0.646
MAT-POS-f9802937-5
0.646
MAT-POS-f9802937-6
0.646
ALP-UNI-3496895b-8
0.645
ALP-UNI-8e43a71e-8
0.645
EDJ-MED-d203f206-24
0.641
ALP-UNI-8e43a71e-2
0.641
ALP-UNI-3496895b-2
0.641
EDJ-MED-d203f206-33
0.640
EDG-MED-ba1ac7b9-5
0.640
EDG-MED-ba1ac7b9-13
0.639
KAD-UNI-8a629cb0-21
0.635
KAD-UNI-8a629cb0-33
0.635
ALP-UNI-3496895b-7
0.635
ALP-UNI-8e43a71e-10
0.635
ALP-UNI-8e43a71e-7
0.635
ALP-UNI-76695c4f-9
0.635
ALP-UNI-3496895b-10
0.635
EDJ-MED-d203f206-38
0.632
EDJ-MED-d203f206-32
0.631
ALP-UNI-8e43a71e-3
0.629
KAD-UNI-80f122c8-2
0.629
ALP-UNI-3496895b-3
0.629
KAD-UNI-8a629cb0-10
0.629
ALP-UNI-76695c4f-6
0.629
MAT-POS-5d65ec79-1
0.626
MAT-POS-f9802937-3
0.626
MAT-POS-45b13633-5
0.626
MAT-POS-f9802937-4
0.626
EDG-MED-ba1ac7b9-21
0.626
ALP-POS-2da19ca7-3
0.626