Molecular Properties | |
SMILES: | CS(=O)(=O)NCc1ccc(Cl)cc1C1CCCN(c2cncc3ccccc23)C1=O |
MW: | 443.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-df536be7-4
0.833
ALP-POS-bb8a3193-5
0.740
ALP-POS-bb8a3193-9
0.625
ALP-POS-bb8a3193-4
0.618
ALP-POS-ce760d3f-8
0.591
PET-UNK-c9c1e0d8-3
0.557
ALP-POS-e0fe77e5-1
0.536
ALP-UNI-3735e77e-1
0.536
ALP-POS-bb8a3193-8
0.517
EDJ-MED-28b38b9b-2
0.500
EDJ-MED-28b38b9b-1
0.483
EDJ-MED-28b38b9b-3
0.482
BEN-DND-d1eb1f41-15
0.462
EDG-MED-5d232de5-7
0.461
PET-UNK-c9c1e0d8-4
0.461
GIA-UNK-80c9bc96-1
0.461
EDG-MED-5d232de5-8
0.461
BEN-DND-d1eb1f41-8
0.435
MIC-UNK-d854bf4c-7
0.435
BEN-DND-d1eb1f41-9
0.431
EDJ-MED-40e596c8-5
0.426
BEN-DND-d1eb1f41-7
0.425
MAT-POS-24589f88-14
0.425
MIK-ENA-be04d1d4-1
0.424
MIK-ENA-e143773d-1
0.424
MIK-ENA-edcfce18-1
0.424
MIK-ENA-0547b12c-1
0.424
MAT-POS-50a80394-2
0.424
EDJ-MED-7587a9ee-2
0.422
MIC-UNK-d854bf4c-5
0.422
MAT-POS-e20a5dfb-1
0.417
MAT-POS-e20a5dfb-2
0.417
ALP-POS-e0fe77e5-7
0.417
ALP-POS-477dc5b7-5
0.417
EDJ-MED-7587a9ee-3
0.417
EDJ-MED-40e596c8-1
0.417
EDJ-MED-3707c4bc-1
0.413
JAG-UCB-f37eaa14-4
0.413
MAT-POS-50a80394-5
0.412
EDJ-MED-40e596c8-2
0.411
MAT-POS-50a80394-6
0.410
MAT-POS-b3212acf-2
0.409
MIC-UNK-257d841f-1
0.409
ALP-POS-133e7cd9-1
0.408
JUL-TUD-06b2044f-112
0.407
MAT-POS-983b399a-1
0.407
ALP-POS-477dc5b7-4
0.407
EDJ-MED-159244ea-1
0.407
YVE-CNR-132fc2df-1
0.407
LUO-POS-ed2cfb03-2
0.407
JAG-UCB-f37eaa14-6
0.407
MAT-POS-b3212acf-1
0.406
MAT-POS-50a80394-3
0.406
MIC-UNK-d854bf4c-8
0.405
PET-UNK-431b3bfb-1
0.404
ALP-UNI-58319883-2
0.404
PET-UNK-14142a25-10
0.403
MAT-POS-c7726e07-5
0.403
LUO-POS-868e8996-11
0.403
MAT-POS-c7726e07-6
0.403
PET-UNK-14142a25-1
0.403
MIK-ENA-794411b8-1
0.403
LUO-POS-9931618f-2
0.403
EDJ-MED-8bb691af-4
0.403
EDJ-MED-8bb691af-8
0.403
LUO-POS-868e8996-12
0.403
LUO-POS-9931618f-1
0.403
MIK-ENA-37e0b697-1
0.403
MIC-UNK-d854bf4c-3
0.402
ALP-POS-ecbed2ba-3
0.402
EDJ-MED-3707c4bc-2
0.402
ALP-POS-c3a90b22-6
0.402
MAT-POS-50a80394-1
0.402
MIK-ENA-99706bb8-1
0.402
MIK-ENA-17e27e9c-1
0.402
MIK-ENA-623fe2a6-1
0.402
MIK-ENA-2c0ad173-1
0.402
MAT-POS-50a80394-4
0.400
ALP-POS-c3a90b22-5
0.398
ALP-POS-ecbed2ba-20
0.398
JOH-MSK-4bb3d434-1
0.397
DAR-DIA-6be260fc-4
0.397
MAT-POS-a9372f04-1
0.396
EDJ-MED-33064c06-18
0.395
EDJ-MED-4138fde9-8
0.395
LUO-POS-f7b1afe6-3
0.395
VLA-UNK-3bd6fc51-1
0.395
ALP-POS-41e2080f-1
0.395
EDJ-MED-94fddcec-4
0.395
EDJ-MED-d4864bdc-3
0.395
PET-UNK-7be94445-1
0.394
ALP-POS-c3a90b22-11
0.394
EDJ-MED-40e596c8-4
0.394
MAT-UCL-e2ab2224-1
0.393
DAR-DIA-6be260fc-2
0.393
ALP-POS-e0fe77e5-13
0.393
MIC-UNK-d854bf4c-6
0.393
ALP-POS-ecbed2ba-19
0.392
EDJ-MED-6b23330e-5
0.392
MAT-POS-e75f6e44-4
0.392