MMsINC Database Search


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MMsINC code: MMs00310299

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)cc(Cl)c1

InChI:

InChI=1/C14H12Cl2N2O3S/c1-9(19)17-12-2-4-14(5-3-12)22(20,21)18-13-7-10(15)6-11(16)8-13/h2-8,18H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2234 kcal/mol

Physical Properties
Molecular Weight: 359.233 g/mol	logS: -4.72475	SlogP: 3.7526	Reactive groups: 0

Topological Properties
Globularity: 0.144698	Sterimol/B1: 3.73001	Sterimol/B2: 4.40383	Sterimol/B3: 5.07841
Sterimol/B4: 6.66468	Sterimol/L: 13.6027

Surface and Volume Properties
Accessible surface: 548.718	Positive charged surface: 225.76	Negative charged surface: 322.957	Volume: 291
Hydrophobic surface: 416.094	Hydrophilic surface: 132.624

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.