MMsINC Database Search


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MMsINC code: MMs00061517

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S

SMILES:

Clc1ccc(cc1)CCNS(=O)(=O)c1ccccc1

InChI:

InChI=1/C14H14ClNO2S/c15-13-8-6-12(7-9-13)10-11-16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.7871 kcal/mol

Physical Properties
Molecular Weight: 295.79 g/mol	logS: -3.78652	SlogP: 2.86097	Reactive groups: 0

Topological Properties
Globularity: 0.112384	Sterimol/B1: 2.46859	Sterimol/B2: 3.57999	Sterimol/B3: 3.78179
Sterimol/B4: 6.77551	Sterimol/L: 14.777

Surface and Volume Properties
Accessible surface: 518.594	Positive charged surface: 234.283	Negative charged surface: 284.312	Volume: 264.25
Hydrophobic surface: 436.617	Hydrophilic surface: 81.977

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.