Molecular Properties | |
SMILES: | N#CC1(S(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 492.1 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 94.37 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-8bb691af-6
ALP-POS-ecbed2ba-20
0.750
EDJ-MED-7587a9ee-3
0.747
LUO-POS-ed2cfb03-2
0.742
EDJ-MED-accc2c4d-3
0.740
ALP-POS-ecbed2ba-9
0.735
MIK-ENA-5d9157e9-1
0.735
EDJ-MED-8bb691af-6
0.735
ALP-POS-ecbed2ba-4
0.735
MIK-ENA-5d9157e9-2
0.735
EDJ-MED-accc2c4d-1
0.725
ALP-POS-ecbed2ba-8
0.721
EDJ-MED-accc2c4d-2
0.718
LUO-POS-ed2cfb03-1
0.713
ALP-POS-ecbed2ba-17
0.712
ALP-POS-ecbed2ba-15
0.708
ALP-POS-ecbed2ba-3
0.706
ALP-POS-ecbed2ba-13
0.705
EDJ-MED-4138fde9-7
0.701
PET-UNK-94036022-9
0.692
ALP-POS-ecbed2ba-10
0.692
PET-UNK-94036022-2
0.692
ALP-POS-ecbed2ba-16
0.692
ALP-POS-ecbed2ba-22
0.692
PET-UNK-94036022-10
0.689
ALP-POS-ecbed2ba-18
0.689
PET-UNK-94036022-3
0.689
EDJ-MED-3707c4bc-1
0.689
EDJ-MED-3707c4bc-2
0.689
ALP-POS-ecbed2ba-11
0.682
ALP-POS-ecbed2ba-5
0.679
EDJ-MED-4138fde9-8
0.676
ALP-POS-ecbed2ba-2
0.676
ALP-POS-ecbed2ba-1
0.673
ALP-POS-ecbed2ba-19
0.670
EDJ-MED-5cd3920d-5
0.664
EDJ-MED-5cd3920d-6
0.664
VLA-UNK-61877630-10
0.664
ALP-POS-ecbed2ba-6
0.664
EDJ-MED-4138fde9-9
0.657
ALP-POS-c3a90b22-7
0.654
ALP-POS-ecbed2ba-21
0.651
LUO-POS-e1dab717-19
0.631
EDJ-MED-7587a9ee-2
0.631
ALP-POS-133e7cd9-2
0.622
EDJ-MED-40e596c8-1
0.617
ALP-POS-ecbed2ba-14
0.615
MAT-POS-69786b79-4
0.613
VLA-UNK-3bd6fc51-1
0.610
MAT-POS-e75f6e44-11
0.607
LUO-POS-868e8996-12
0.604
MAT-POS-c7726e07-6
0.604
MAT-POS-c7726e07-5
0.604
LUO-POS-868e8996-11
0.604
EDJ-MED-8bb691af-4
0.604
EDJ-MED-40e596c8-2
0.604
MAT-POS-69786b79-1
0.602
LUO-POS-e1dab717-1
0.602
MAT-POS-566864e2-3
0.602
MAT-POS-566864e2-4
0.602
ALP-POS-ecbed2ba-7
0.602
MAT-POS-576f7758-1
0.602
MAT-POS-69786b79-3
0.591
VLA-UNK-61877630-8
0.588
VLA-UNK-e334495f-2
0.588
ALP-POS-ecbed2ba-12
0.586
MAT-POS-69786b79-2
0.586
MAT-POS-566864e2-1
0.586
MAT-POS-566864e2-2
0.586
MAT-POS-e75f6e44-1
0.586
MAT-POS-e75f6e44-5
0.586
EDJ-MED-b6c6ee2b-4
0.586
ALP-POS-c3a90b22-6
0.582
EDJ-MED-6b23330e-5
0.580
MAT-POS-e75f6e44-4
0.580
EDJ-MED-6b23330e-3
0.578
ALP-POS-c3a90b22-2
0.577
EDJ-MED-cc48ee33-3
0.577
MAT-POS-e75f6e44-17
0.575
MIK-ENA-1494235a-1
0.571
MIK-ENA-4ed700b1-1
0.571
BRU-THA-ae0174a8-1
0.571
EDJ-MED-cc48ee33-4
0.571
MIK-ENA-4a1c9a78-1
0.571
MAT-POS-e75f6e44-13
0.570
MAT-POS-e75f6e44-19
0.570
PET-UNK-7e9559de-1
0.566
MAT-POS-e75f6e44-2
0.566
EDJ-MED-6b23330e-1
0.566
MAT-POS-96396902-1
0.566
PET-UNK-7e9559de-4
0.566
EDJ-MED-6b23330e-2
0.566
EDJ-MED-6b23330e-7
0.566
MAT-POS-e75f6e44-3
0.566
EDJ-MED-33064c06-16
0.565
EDJ-MED-40e596c8-3
0.565
MAT-POS-e75f6e44-10
0.565
EDJ-MED-6b23330e-4
0.561
EDJ-MED-9f4ac58c-2
0.561
EDJ-MED-cc48ee33-5
0.561
ALP-POS-c3a90b22-4
0.561