Molecular Properties | |
SMILES: | COCCN1CC(C)(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 493.06 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDG-MED-b8f93667-1
EDG-MED-b8f93667-1
0.832
EDG-MED-b8f93667-2
0.814
LUO-POS-e3baa4d7-1
0.789
MAT-POS-c88128cb-3
0.789
EDJ-MED-c3ea9889-2
0.737
MAT-POS-c88128cb-6
0.619
PET-UNK-6e612674-14
0.616
PET-UNK-6e612674-6
0.616
EDJ-MED-c3ea9889-1
0.613
EDJ-MED-3bfd841e-1
0.613
EDJ-MED-dac03e7f-5
0.604
EDJ-MED-dac03e7f-8
0.604
EDG-MED-b8f93667-5
0.602
EDG-MED-b8f93667-6
0.602
EDJ-MED-c3ea9889-3
0.602
MAT-POS-83f73d0a-4
0.598
EDG-MED-b8f93667-3
0.598
EDG-MED-b8f93667-7
0.596
EDG-MED-b8f93667-8
0.596
EDJ-MED-dac03e7f-1
0.593
EDJ-MED-dac03e7f-4
0.588
EDG-MED-b8f93667-4
0.587
EDJ-MED-dac03e7f-7
0.584
LUO-POS-868e8996-1
0.581
MIK-ENA-e76e31f3-1
0.581
LUO-POS-868e8996-2
0.581
MIK-ENA-d22671f7-1
0.581
MIK-ENA-f5fe7855-1
0.581
MAT-POS-e119ab4f-5
0.581
EDJ-MED-dac03e7f-6
0.580
MAT-POS-c88128cb-4
0.575
EDJ-MED-dac03e7f-3
0.574
EDJ-MED-dac03e7f-2
0.570
PET-UNK-5ad1c31a-6
0.570
LUO-POS-66f38ea0-1
0.570
MAT-POS-c88128cb-5
0.570
PET-UNK-5ad1c31a-5
0.570
PET-UNK-5ad1c31a-11
0.570
PET-UNK-5ad1c31a-12
0.570
MAT-POS-c88128cb-8
0.569
LUO-POS-3b937086-1
0.569
MAT-POS-83f73d0a-3
0.564
MAT-POS-c88128cb-7
0.559
MAT-POS-c88128cb-9
0.544
EDJ-MED-b2a1399d-4
0.540
EDJ-MED-b2a1399d-3
0.534
MAT-POS-c88128cb-10
0.530
EDJ-MED-b2a1399d-2
0.522
PET-UNK-6e612674-2
0.519
PET-UNK-6e612674-10
0.519
EDJ-MED-b2a1399d-1
0.518
PET-UNK-6e612674-13
0.509
PET-UNK-6e612674-5
0.509
EDJ-MED-c3ea9889-4
0.500
MAT-POS-666635d5-1
0.500
PET-UNK-6e612674-7
0.500
PET-UNK-6e612674-8
0.500
PET-UNK-6e612674-15
0.500
PET-UNK-6e612674-16
0.500
PET-UNK-1abb40f2-2
0.473
PET-UNK-1abb40f2-4
0.473
MAT-POS-c88128cb-13
0.459
EDJ-MED-70ab3faf-2
0.455
MIC-UNK-54748b58-2
0.453
MAT-POS-c88128cb-14
0.451
PET-UNK-5ad1c31a-3
0.449
PET-UNK-5ad1c31a-4
0.449
PET-UNK-5ad1c31a-9
0.449
PET-UNK-5ad1c31a-10
0.449
PET-UNK-b78139fa-14
0.441
ALP-POS-1cbc2fae-1
0.436
MAT-POS-806462de-1
0.436
MAT-POS-806462de-2
0.436
EDJ-MED-70ab3faf-3
0.436
PET-UNK-757f8bc8-7
0.432
EDJ-MED-70ab3faf-1
0.427
PET-UNK-6e612674-9
0.426
PET-UNK-4b4f2bb7-5
0.426
ALP-POS-6f6ae286-2
0.426
PET-UNK-6e612674-1
0.426
PET-UNK-6e612674-4
0.424
PET-UNK-6e612674-12
0.424
PET-UNK-6e612674-3
0.419
PET-UNK-6e612674-11
0.419
PET-UNK-ab76d8f6-1
0.415
EDJ-MED-211392e3-2
0.415
EDJ-MED-c3ea9889-7
0.413
MAT-POS-c88128cb-12
0.412
PET-UNK-b78139fa-15
0.411
PET-UNK-ad758083-5
0.408
PET-UNK-022eab87-2
0.405
PET-UNK-b78139fa-18
0.405
ALP-POS-e266d783-2
0.404
MAT-POS-89bd6af1-3
0.404
MAT-UNK-28cf4d29-1
0.404
PET-UNK-1abb40f2-1
0.404
PET-UNK-1abb40f2-3
0.404
EDJ-MED-211392e3-3
0.402
PET-UNK-757f8bc8-6
0.398
MAT-POS-89bd6af1-1
0.395