MMsINC Database Search


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MMsINC code: MMs03739114

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₄S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(OC)=O)ccc1C

InChI:

InChI=1/C15H13Cl2NO4S/c1-9-3-5-11(8-13(9)17)23(20,21)18-14-7-10(16)4-6-12(14)15(19)22-2/h3-8,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7472 kcal/mol

Physical Properties
Molecular Weight: 374.244 g/mol	logS: -5.0575	SlogP: 3.88922	Reactive groups: 0

Topological Properties
Globularity: 0.286303	Sterimol/B1: 2.36694	Sterimol/B2: 3.75688	Sterimol/B3: 7.02402
Sterimol/B4: 7.89867	Sterimol/L: 13.0933

Surface and Volume Properties
Accessible surface: 552.315	Positive charged surface: 260.368	Negative charged surface: 291.947	Volume: 301.625
Hydrophobic surface: 452.278	Hydrophilic surface: 100.037

Pharmacophoric Properties
Hydrogen bond donors: 1	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.