MMsINC Database Search


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MMsINC code: MMs02522046

Type: Neutral
Formula: C₁₄H₁₄ClNO₂S₂

SMILES:

Clc1ccc(cc1)CNS(=O)(=O)c1ccc(SC)cc1

InChI:

InChI=1/C14H14ClNO2S2/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5605 kcal/mol

Physical Properties
Molecular Weight: 327.856 g/mol	logS: -4.74645	SlogP: 3.8068	Reactive groups: 0

Topological Properties
Globularity: 0.101443	Sterimol/B1: 2.12669	Sterimol/B2: 3.15086	Sterimol/B3: 4.48233
Sterimol/B4: 7.19551	Sterimol/L: 17.0502

Surface and Volume Properties
Accessible surface: 546.061	Positive charged surface: 232.524	Negative charged surface: 313.537	Volume: 281.125
Hydrophobic surface: 418.068	Hydrophilic surface: 127.993

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.