Molecular Properties | |
SMILES: | N#C[C@]12CN(C(=O)C[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)C[C@H]1CS(=O)(=O)C2 |
MW: | 564.12 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 129.46 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-ba1ac7b9-14
0.675
EDJ-MED-d203f206-25
0.672
EDJ-MED-d203f206-36
0.667
KAD-UNI-8a629cb0-7
0.659
KAD-UNI-80f122c8-3
0.659
ALP-UNI-76695c4f-4
0.659
ALP-UNI-76695c4f-10
0.659
KAD-UNI-8a629cb0-31
0.659
EDJ-MED-d203f206-40
0.654
EDJ-MED-d203f206-26
0.648
EDJ-MED-d203f206-43
0.648
ALP-UNI-3496895b-7
0.641
ALP-UNI-8e43a71e-7
0.641
EDG-MED-971238d3-10
0.640
MAT-POS-45b13633-4
0.640
RAL-THA-58fba2bc-1
0.640
EDJ-MED-d203f206-9
0.638
EDJ-MED-d203f206-37
0.637
EDG-MED-ba1ac7b9-4
0.636
EDJ-MED-d203f206-41
0.635
KAD-UNI-8a629cb0-42
0.632
EDG-MED-ba1ac7b9-2
0.629
EDJ-MED-d203f206-10
0.628
EDG-MED-ba1ac7b9-32
0.628
ALP-UNI-76695c4f-8
0.625
KAD-UNI-80f122c8-5
0.625
ALP-UNI-8e43a71e-9
0.625
KAD-UNI-8a629cb0-17
0.625
EDG-MED-ba1ac7b9-15
0.625
ALP-UNI-3496895b-9
0.625
EDG-MED-ba1ac7b9-7
0.624
ALP-UNI-3496895b-6
0.623
ALP-UNI-8e43a71e-6
0.623
EDG-MED-ba1ac7b9-25
0.623
KAD-UNI-80f122c8-4
0.623
KAD-UNI-8a629cb0-15
0.623
ALP-UNI-76695c4f-7
0.623
EDJ-MED-d203f206-39
0.620
EDG-MED-ba1ac7b9-28
0.620
EDJ-MED-d203f206-19
0.619
EDG-MED-ba1ac7b9-13
0.619
ALP-POS-67d5babe-4
0.615
EDG-MED-ba1ac7b9-31
0.614
ALP-UNI-3496895b-8
0.612
EDJ-MED-d203f206-38
0.612
ALP-UNI-8e43a71e-8
0.612
EDG-MED-ba1ac7b9-1
0.611
ALP-POS-5bb456a5-5
0.611
ALP-POS-2da19ca7-5
0.611
ALP-POS-5bb456a5-6
0.611
MAT-POS-5d65ec79-2
0.610
MAT-POS-f9802937-5
0.610
MAT-POS-f9802937-6
0.610
ALP-UNI-8e43a71e-3
0.609
KAD-UNI-80f122c8-2
0.609
ALP-UNI-3496895b-3
0.609
KAD-UNI-8a629cb0-10
0.609
ALP-UNI-76695c4f-6
0.609
EDJ-MED-d203f206-27
0.609
EDJ-MED-d203f206-35
0.609
EDG-MED-ba1ac7b9-8
0.608
EDJ-MED-d203f206-8
0.608
ALP-UNI-76695c4f-5
0.608
EDJ-MED-d203f206-33
0.608
EDG-MED-ba1ac7b9-5
0.608
KAD-UNI-8a629cb0-8
0.608
ALP-POS-5bb456a5-7
0.606
ALP-POS-5bb456a5-8
0.606
ALP-POS-2da19ca7-2
0.606
EDG-MED-ba1ac7b9-33
0.606
MAT-POS-5d65ec79-1
0.605
MAT-POS-f9802937-3
0.605
MAT-POS-45b13633-5
0.605
MAT-POS-f9802937-4
0.605
ALP-POS-67d5babe-3
0.604
EDG-MED-ba1ac7b9-6
0.603
KAD-UNI-8a629cb0-21
0.603
KAD-UNI-8a629cb0-33
0.603
ALP-POS-5bb456a5-10
0.603
ALP-UNI-8e43a71e-10
0.603
ALP-POS-2da19ca7-1
0.603
ALP-UNI-76695c4f-9
0.603
ALP-POS-5bb456a5-9
0.603
ALP-UNI-3496895b-10
0.603
ALP-UNI-76695c4f-2
0.602
EDG-MED-ba1ac7b9-20
0.602
ALP-POS-2da19ca7-4
0.602
KAD-UNI-8a629cb0-5
0.602
EDJ-MED-d203f206-32
0.600
EDJ-MED-d203f206-24
0.599
EDJ-MED-d203f206-22
0.597
EDG-MED-ba1ac7b9-23
0.594
EDG-MED-ba1ac7b9-26
0.594
EDG-MED-ba1ac7b9-27
0.594
EDJ-MED-d203f206-15
0.591
ALP-POS-67d5babe-5
0.591
EDG-MED-ba1ac7b9-18
0.590
JAG-UCB-706446eb-7
0.589
ALP-UNI-8e43a71e-11
0.588
ALP-UNI-3496895b-11
0.588