Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CCS(=O)(=O)N2CCCCC12 |
MW: | 568.15 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 108.91 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-8e43a71e-1
1.000
EDJ-MED-d203f206-41
0.717
EDG-MED-ba1ac7b9-2
0.697
EDJ-MED-d203f206-30
0.691
EDJ-MED-d203f206-8
0.685
EDG-MED-ba1ac7b9-11
0.680
EDG-MED-ba1ac7b9-1
0.678
EDJ-MED-d203f206-22
0.675
EDG-MED-ba1ac7b9-10
0.667
EDG-MED-ba1ac7b9-7
0.664
EDJ-MED-d203f206-26
0.661
EDJ-MED-d203f206-43
0.661
KAD-UNI-8a629cb0-42
0.659
EDG-MED-ba1ac7b9-13
0.659
EDJ-MED-d203f206-15
0.654
EDJ-MED-d203f206-42
0.654
EDG-MED-ba1ac7b9-9
0.652
EDJ-MED-d203f206-38
0.651
EDG-MED-ba1ac7b9-15
0.651
ALP-UNI-3496895b-3
0.648
ALP-UNI-76695c4f-6
0.648
ALP-UNI-8e43a71e-3
0.648
KAD-UNI-80f122c8-2
0.648
KAD-UNI-8a629cb0-10
0.648
EDG-MED-ba1ac7b9-12
0.646
ALP-UNI-3496895b-2
0.646
EDJ-MED-d203f206-16
0.646
ALP-UNI-8e43a71e-2
0.646
EDJ-MED-d203f206-19
0.645
EDG-MED-ba1ac7b9-21
0.644
EDG-MED-ba1ac7b9-23
0.631
EDG-MED-ba1ac7b9-27
0.631
EDG-MED-971238d3-10
0.626
MAT-POS-45b13633-4
0.626
RAL-THA-58fba2bc-1
0.626
EDG-MED-ba1ac7b9-20
0.626
EDJ-MED-d203f206-33
0.620
EDJ-MED-d203f206-39
0.620
ALP-POS-5bb456a5-7
0.618
EDG-MED-ba1ac7b9-26
0.618
ALP-POS-2da19ca7-2
0.618
EDG-MED-ba1ac7b9-33
0.618
ALP-POS-5bb456a5-8
0.618
ALP-POS-67d5babe-4
0.615
EDJ-MED-d203f206-10
0.615
EDG-MED-ba1ac7b9-31
0.614
EDG-MED-ba1ac7b9-18
0.614
EDG-MED-ba1ac7b9-3
0.613
ALP-UNI-76695c4f-8
0.612
ALP-UNI-3496895b-9
0.612
ALP-UNI-8e43a71e-9
0.612
KAD-UNI-8a629cb0-17
0.612
KAD-UNI-80f122c8-5
0.612
EDJ-MED-d203f206-9
0.612
EDG-MED-ba1ac7b9-30
0.612
EDJ-MED-d203f206-3
0.612
EDG-MED-ba1ac7b9-19
0.612
EDJ-MED-d203f206-14
0.612
EDJ-MED-d203f206-37
0.611
ALP-POS-5bb456a5-5
0.611
ALP-POS-2da19ca7-5
0.611
ALP-POS-5bb456a5-6
0.611
MAT-POS-f9802937-5
0.610
MAT-POS-f9802937-6
0.610
MAT-POS-5d65ec79-2
0.610
KAD-UNI-8a629cb0-7
0.609
KAD-UNI-80f122c8-3
0.609
ALP-UNI-76695c4f-4
0.609
EDJ-MED-d203f206-27
0.609
EDG-MED-ba1ac7b9-8
0.608
EDJ-MED-d203f206-25
0.608
EDG-MED-ba1ac7b9-28
0.608
MAT-POS-45b13633-5
0.605
MAT-POS-f9802937-4
0.605
MAT-POS-5d65ec79-1
0.605
MAT-POS-f9802937-3
0.605
ALP-POS-67d5babe-3
0.604
ALP-POS-67d5babe-5
0.603
EDJ-MED-d203f206-40
0.603
EDG-MED-ba1ac7b9-32
0.603
EDJ-MED-d203f206-36
0.603
DAR-DIA-ecdbc7dd-3
0.600
EDJ-MED-d203f206-21
0.599
EDG-MED-ba1ac7b9-4
0.598
EDG-MED-ba1ac7b9-14
0.598
DAR-DIA-ecdbc7dd-4
0.597
EDG-MED-ba1ac7b9-5
0.595
ALP-POS-67d5babe-2
0.595
ALP-UNI-76695c4f-10
0.594
KAD-UNI-8a629cb0-31
0.594
DAR-DIA-ecdbc7dd-13
0.593
ALP-UNI-3496895b-7
0.591
ALP-UNI-8e43a71e-7
0.591
DAR-DIA-ecdbc7dd-11
0.590
ALP-UNI-76695c4f-2
0.590
ALP-POS-2da19ca7-4
0.590
KAD-UNI-8a629cb0-5
0.590
JAG-UCB-706446eb-7
0.589
ALP-UNI-8e43a71e-11
0.588
ALP-UNI-3496895b-11
0.588