Molecular Properties | |
SMILES: | NC(=O)[C@H]1CCCCN1C(=O)C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 506.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 114.62 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d203f206-22
0.903
EDG-MED-ba1ac7b9-1
0.874
EDJ-MED-d203f206-8
0.746
EDJ-MED-d203f206-33
0.746
EDG-MED-ba1ac7b9-2
0.745
EDG-MED-ba1ac7b9-10
0.737
EDJ-MED-d203f206-41
0.735
EDG-MED-ba1ac7b9-9
0.733
KAD-UNI-8a629cb0-42
0.732
EDJ-MED-d203f206-42
0.724
EDG-MED-ba1ac7b9-7
0.723
EDG-MED-ba1ac7b9-11
0.723
EDJ-MED-d203f206-15
0.709
EDG-MED-ba1ac7b9-13
0.702
EDG-MED-ba1ac7b9-12
0.700
EDJ-MED-d203f206-16
0.700
EDG-MED-ba1ac7b9-15
0.692
EDJ-MED-d203f206-38
0.692
ALP-UNI-8e43a71e-1
0.691
ALP-UNI-3496895b-1
0.691
ALP-UNI-76695c4f-6
0.690
ALP-UNI-8e43a71e-3
0.690
EDJ-MED-d203f206-26
0.690
EDJ-MED-d203f206-43
0.690
KAD-UNI-8a629cb0-10
0.690
ALP-UNI-3496895b-3
0.690
KAD-UNI-80f122c8-2
0.690
EDJ-MED-d203f206-19
0.687
ALP-UNI-8e43a71e-2
0.686
ALP-UNI-3496895b-2
0.686
RAL-THA-58fba2bc-1
0.686
MAT-POS-45b13633-4
0.686
EDG-MED-971238d3-10
0.686
MAT-POS-5d65ec79-2
0.682
MAT-POS-f9802937-5
0.682
MAT-POS-f9802937-6
0.682
ALP-POS-2da19ca7-5
0.675
ALP-POS-5bb456a5-5
0.675
ALP-POS-5bb456a5-6
0.675
EDG-MED-ba1ac7b9-19
0.675
EDG-MED-ba1ac7b9-22
0.675
EDJ-MED-d203f206-39
0.672
EDJ-MED-d203f206-27
0.672
EDG-MED-ba1ac7b9-27
0.669
EDG-MED-ba1ac7b9-21
0.669
EDG-MED-ba1ac7b9-32
0.667
ALP-UNI-76695c4f-2
0.664
ALP-POS-2da19ca7-4
0.664
KAD-UNI-8a629cb0-5
0.664
EDG-MED-ba1ac7b9-20
0.664
ALP-UNI-76695c4f-8
0.664
KAD-UNI-8a629cb0-17
0.664
KAD-UNI-80f122c8-5
0.664
ALP-UNI-8e43a71e-9
0.664
ALP-UNI-3496895b-9
0.664
EDJ-MED-d203f206-37
0.664
EDJ-MED-d203f206-3
0.661
EDJ-MED-d203f206-14
0.661
MAT-POS-f9802937-4
0.661
MAT-POS-45b13633-5
0.661
MAT-POS-f9802937-3
0.661
MAT-POS-5d65ec79-1
0.661
ALP-UNI-76695c4f-5
0.658
KAD-UNI-8a629cb0-8
0.658
EDJ-MED-d203f206-25
0.658
EDG-MED-ba1ac7b9-28
0.658
EDG-MED-ba1ac7b9-26
0.656
EDG-MED-ba1ac7b9-23
0.656
EDJ-MED-d203f206-36
0.653
EDJ-MED-d203f206-40
0.653
EDJ-MED-d203f206-10
0.653
ALP-POS-67d5babe-4
0.653
EDG-MED-ba1ac7b9-3
0.652
MAT-POS-2bb0cf2b-1
0.651
EDG-MED-971238d3-5
0.651
MAT-POS-45b13633-1
0.651
MAT-POS-e6dd326d-1
0.651
EDG-MED-ba1ac7b9-18
0.650
EDG-MED-ba1ac7b9-31
0.650
EDJ-MED-d203f206-9
0.650
ALP-UNI-3496895b-11
0.648
ALP-UNI-8e43a71e-11
0.648
EDG-MED-ba1ac7b9-4
0.648
EDG-MED-ba1ac7b9-8
0.647
EDJ-MED-d203f206-21
0.646
ALP-UNI-76695c4f-10
0.644
KAD-UNI-8a629cb0-31
0.644
ALP-POS-2da19ca7-2
0.642
ALP-POS-5bb456a5-8
0.642
ALP-POS-5bb456a5-7
0.642
EDG-MED-ba1ac7b9-33
0.642
EDJ-MED-d203f206-31
0.642
EDJ-MED-d203f206-34
0.641
ALP-POS-67d5babe-3
0.640
DAR-DIA-ecdbc7dd-3
0.640
ALP-UNI-3496895b-10
0.639
ALP-POS-2da19ca7-1
0.639
ALP-UNI-76695c4f-9
0.639
KAD-UNI-8a629cb0-21
0.639
ALP-UNI-8e43a71e-10
0.639