MMsINC Database Search


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MMsINC code: MMs02636122

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(ccc2)CC)cc1

InChI:

InChI=1/C14H14ClNO2S/c1-2-11-4-3-5-13(10-11)16-19(17,18)14-8-6-12(15)7-9-14/h3-10,16H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8471 kcal/mol

Physical Properties
Molecular Weight: 295.79 g/mol	logS: -4.77015	SlogP: 3.70317	Reactive groups: 0

Topological Properties
Globularity: 0.214948	Sterimol/B1: 2.99784	Sterimol/B2: 4.42281	Sterimol/B3: 4.96241
Sterimol/B4: 5.61247	Sterimol/L: 13.143

Surface and Volume Properties
Accessible surface: 502.098	Positive charged surface: 242.983	Negative charged surface: 259.115	Volume: 263.375
Hydrophobic surface: 399.279	Hydrophilic surface: 102.819

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.