Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(c3cncc4ccccc34)C2=O)C1 |
MW: | 455.11 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 70.58 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-7587a9ee-3
0.839
ALP-POS-133e7cd9-2
0.740
ALP-POS-133e7cd9-1
0.694
ALP-POS-ecbed2ba-20
0.688
LUO-POS-e1dab717-13
0.683
LUO-POS-ed2cfb03-2
0.680
PET-UNK-7e9559de-5
0.663
PET-UNK-7e9559de-2
0.663
ALP-POS-ecbed2ba-3
0.663
LUO-POS-ed2cfb03-1
0.653
EDJ-MED-3707c4bc-2
0.647
ALP-POS-ecbed2ba-18
0.647
EDJ-MED-3707c4bc-1
0.647
ALP-POS-ecbed2ba-19
0.644
ALP-POS-ecbed2ba-10
0.635
EDJ-MED-4138fde9-8
0.635
PET-UNK-94036022-3
0.631
EDJ-MED-accc2c4d-3
0.631
PET-UNK-94036022-10
0.631
EDJ-MED-accc2c4d-4
0.631
ALP-POS-ecbed2ba-5
0.623
ALP-POS-ecbed2ba-6
0.623
ALP-POS-ecbed2ba-17
0.623
EDJ-MED-5cd3920d-5
0.623
PET-UNK-94036022-2
0.619
EDJ-MED-accc2c4d-1
0.619
PET-UNK-94036022-9
0.619
ALP-POS-ecbed2ba-1
0.617
ALP-POS-ecbed2ba-8
0.617
ALP-POS-ecbed2ba-13
0.617
EDJ-MED-4138fde9-9
0.617
MIK-ENA-5d9157e9-2
0.613
MIK-ENA-5d9157e9-1
0.613
EDJ-MED-accc2c4d-2
0.613
EDJ-MED-8bb691af-6
0.613
ALP-POS-ecbed2ba-4
0.613
ALP-POS-ecbed2ba-9
0.613
ALP-POS-ecbed2ba-21
0.611
EDJ-MED-7587a9ee-4
0.608
EDJ-MED-5cd3920d-6
0.607
VLA-UNK-61877630-10
0.607
EDJ-MED-40e596c8-1
0.606
ALP-POS-ecbed2ba-15
0.606
ALP-POS-ecbed2ba-16
0.606
LUO-POS-e1dab717-19
0.604
EDJ-MED-4138fde9-7
0.600
VLA-UNK-3bd6fc51-1
0.598
EDJ-MED-8bb691af-4
0.592
MAT-POS-c7726e07-5
0.592
LUO-POS-868e8996-11
0.592
MAT-POS-c7726e07-6
0.592
LUO-POS-868e8996-12
0.592
ALP-POS-ecbed2ba-22
0.591
PET-UNK-14142a25-2
0.585
PET-UNK-14142a25-11
0.585
PET-UNK-aa57768f-5
0.581
PET-UNK-aa57768f-6
0.581
PET-UNK-aa57768f-11
0.581
PET-UNK-aa57768f-12
0.581
MAT-POS-566864e2-3
0.575
ALP-POS-ecbed2ba-7
0.575
LUO-POS-e1dab717-1
0.575
MAT-POS-69786b79-1
0.575
MAT-POS-576f7758-1
0.575
MAT-POS-566864e2-4
0.575
EDJ-MED-6b23330e-6
0.573
ALP-POS-ecbed2ba-11
0.570
ALP-POS-c3a90b22-6
0.570
VLA-UNK-c65c1026-1
0.570
MAT-POS-e75f6e44-4
0.569
EDJ-MED-6b23330e-7
0.569
PET-UNK-7e9559de-1
0.569
MAT-POS-96396902-1
0.569
PET-UNK-7e9559de-4
0.569
EDJ-MED-6b23330e-2
0.569
EDJ-MED-6b23330e-5
0.569
ALP-POS-c3a90b22-7
0.569
ALP-POS-ecbed2ba-2
0.565
MAT-POS-69786b79-3
0.565
ALP-POS-c3a90b22-2
0.565
DAR-DIA-6be260fc-6
0.564
EDJ-MED-6b23330e-4
0.564
EDJ-MED-40e596c8-2
0.564
MIK-ENA-1494235a-1
0.560
MIK-ENA-4ed700b1-1
0.560
BRU-THA-ae0174a8-1
0.560
MIK-ENA-4a1c9a78-1
0.560
ALP-POS-ecbed2ba-14
0.560
PET-UNK-14142a25-3
0.559
LUO-POS-e1dab717-14
0.559
PET-UNK-14142a25-12
0.559
MAT-POS-e75f6e44-19
0.559
EDJ-MED-6b23330e-1
0.555
ALP-POS-477dc5b7-5
0.553
MAT-POS-e20a5dfb-1
0.553
MAT-POS-e20a5dfb-2
0.553
ALP-POS-e0fe77e5-13
0.553
ALP-POS-e0fe77e5-7
0.553
EDJ-MED-cc48ee33-3
0.550
MAT-POS-e75f6e44-7
0.550