MMsINC Database Search


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MMsINC code: MMs01077995

Type: Neutral
Formula: C₁₄H₁₃Cl₂NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)NC(C)c1ccccc1

InChI:

InChI=1/C14H13Cl2NO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)14-9-12(15)7-8-13(14)16/h2-10,17H,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.6538 kcal/mol

Physical Properties
Molecular Weight: 330.235 g/mol	logS: -4.78655	SlogP: 4.1284	Reactive groups: 0

Topological Properties
Globularity: 0.11005	Sterimol/B1: 2.16257	Sterimol/B2: 4.72192	Sterimol/B3: 4.90546
Sterimol/B4: 5.81195	Sterimol/L: 14.5844

Surface and Volume Properties
Accessible surface: 509.429	Positive charged surface: 195.612	Negative charged surface: 313.817	Volume: 275.125
Hydrophobic surface: 428.393	Hydrophilic surface: 81.036

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.