Molecular Properties | |
SMILES: | CC1(CNc2cncc3ccccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 387.08 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.09 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
ALP-POS-1cbc2fae-1
0.553
MAT-POS-806462de-1
0.553
MAT-POS-806462de-2
0.553
ALP-POS-1cbc2fae-2
0.542
PET-UNK-1abb40f2-1
0.526
PET-UNK-1abb40f2-3
0.526
ALP-POS-1460fd94-2
0.500
MIK-ENA-fc9ceda2-1
0.485
EDJ-MED-f9b78f78-4
0.452
ALP-POS-4483ae88-1
0.452
MAT-POS-c88128cb-12
0.447
MAT-POS-83f73d0a-3
0.446
MAT-POS-c88128cb-11
0.443
EDJ-MED-e18764cb-2
0.440
ALP-POS-a577c8a2-1
0.440
MAT-POS-af1eef35-3
0.440
BEN-DND-d6f8d3c6-1
0.440
MAT-POS-83f73d0a-4
0.438
EDJ-MED-70ab3faf-1
0.436
MAT-POS-c88128cb-4
0.435
LUO-POS-433ce175-1
0.430
MAT-POS-c88128cb-13
0.429
LUO-POS-868e8996-1
0.426
MAT-POS-e119ab4f-5
0.426
MIK-ENA-e76e31f3-1
0.426
MIK-ENA-d22671f7-1
0.426
MIK-ENA-f5fe7855-1
0.426
LUO-POS-868e8996-2
0.426
PET-UNK-022eab87-2
0.426
MAT-POS-c88128cb-6
0.423
EDJ-MED-211392e3-1
0.419
MIC-UNK-ea4eb352-1
0.419
MAT-POS-c88128cb-5
0.418
PET-UNK-5ad1c31a-5
0.418
PET-UNK-5ad1c31a-6
0.418
PET-UNK-5ad1c31a-11
0.418
PET-UNK-5ad1c31a-12
0.418
LUO-POS-66f38ea0-1
0.418
MAT-POS-c88128cb-7
0.412
MAT-POS-c88128cb-3
0.411
LUO-POS-e3baa4d7-1
0.411
PET-UNK-6e612674-1
0.407
PET-UNK-6e612674-9
0.407
MAT-POS-c88128cb-8
0.407
LUO-POS-3b937086-1
0.407
EDJ-MED-2f867453-1
0.406
MAT-POS-fb82b63d-2
0.406
PET-UNK-407a74a5-6
0.404
PET-UNK-6e612674-10
0.404
PET-UNK-6e612674-2
0.404
PET-UNK-1abb40f2-4
0.402
PET-UNK-1abb40f2-2
0.402
PET-UNK-ad758083-5
0.402
MAT-POS-c88128cb-9
0.402
MAT-POS-c88128cb-15
0.400
JOH-UNI-e398da21-1
0.396
MAT-POS-c88128cb-14
0.394
PET-UNK-c0891748-3
0.393
PET-UNK-c0891748-9
0.393
RAL-THA-176e263b-1
0.393
PET-UNK-407a74a5-1
0.393
MAT-POS-e6dd326d-2
0.393
MAT-POS-45b13633-2
0.393
MAT-POS-22e8b45a-3
0.393
PET-UNK-0d6841fa-5
0.391
RAL-THA-176e263b-4
0.390
MAT-POS-22e8b45a-2
0.390
MAT-POS-c88128cb-10
0.390
MAT-POS-2905de8c-3
0.388
VLA-UCB-1dbca3b4-14
0.388
EDJ-MED-e4b030d8-1
0.388
MAT-POS-8e4737f4-1
0.388
DAR-DIA-6a508060-10
0.388
EDJ-MED-e4b030d8-13
0.388
BEN-DND-a7517465-4
0.388
EDJ-MED-424a8a89-2
0.387
EDJ-MED-9e38fd34-2
0.386
EDJ-MED-9e38fd34-1
0.386
EDJ-MED-9e38fd34-3
0.386
MIC-UNK-54748b58-2
0.386
MIC-UNK-6e9f8a43-2
0.383
PET-UNK-5ad1c31a-9
0.383
PET-UNK-5ad1c31a-3
0.383
PET-UNK-5ad1c31a-4
0.383
PET-UNK-5ad1c31a-10
0.383
DAR-DIA-ecdbc7dd-14
0.382
PET-UNK-407a74a5-7
0.381
ALP-POS-f1807566-3
0.380
DAR-DIA-ecdbc7dd-7
0.379
DAR-DIA-ecdbc7dd-19
0.379
ALP-POS-a577c8a2-2
0.377
PET-UNK-3bb57da2-2
0.377
PET-UNK-6e612674-3
0.375
PET-UNK-6e612674-11
0.375
DAR-DIA-0d514e7d-30
0.375
DAR-DIA-0d514e7d-29
0.374
PET-UNK-29afea89-2
0.374
DAR-DIA-0d514e7d-28
0.374
EDJ-MED-d08626de-2
0.374
EDG-MED-0e5afe9d-3
0.374