MMsINC Database Search


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MMsINC code: MMs02640360

Type: Neutral
Formula: C₁₃H₁₃ClN₂O₃S₂

SMILES:

Clc1ccc(cc1)CNC(=O)CNS(=O)(=O)c1sccc1

InChI:

InChI=1/C13H13ClN2O3S2/c14-11-5-3-10(4-6-11)8-15-12(17)9-16-21(18,19)13-2-1-7-20-13/h1-7,16H,8-9H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.6236 kcal/mol

Physical Properties
Molecular Weight: 344.843 g/mol	logS: -3.86263	SlogP: 2.2626	Reactive groups: 0

Topological Properties
Globularity: 0.0629751	Sterimol/B1: 3.0386	Sterimol/B2: 3.21202	Sterimol/B3: 4.26837
Sterimol/B4: 6.02951	Sterimol/L: 16.913

Surface and Volume Properties
Accessible surface: 567.973	Positive charged surface: 246.093	Negative charged surface: 321.88	Volume: 282.125
Hydrophobic surface: 425.287	Hydrophilic surface: 142.686

Pharmacophoric Properties
Hydrogen bond donors: 2	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.