MMsINC Database Search


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MMsINC code: MMs02407048

Type: Neutral
Formula: C₁₄H₁₄O₂S₂

SMILES:

S(S(=O)c1ccc(cc1)C)(=O)c1ccc(cc1)C

InChI:

InChI=1/C14H14O2S2/c1-11-3-7-13(8-4-11)17(15)18(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1887 kcal/mol

Physical Properties
Molecular Weight: 278.396 g/mol	logS: -4.81932	SlogP: 3.13384	Reactive groups: 0

Topological Properties
Globularity: 0.0359682	Sterimol/B1: 2.91766	Sterimol/B2: 3.42314	Sterimol/B3: 3.90051
Sterimol/B4: 3.91253	Sterimol/L: 16.7785

Surface and Volume Properties
Accessible surface: 502.587	Positive charged surface: 278.378	Negative charged surface: 224.209	Volume: 255.625
Hydrophobic surface: 423.831	Hydrophilic surface: 78.756

Pharmacophoric Properties
Hydrogen bond donors: 0	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.