MMsINC Database Search


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MMsINC code: MMs02144962

Type: Neutral
Formula: C₁₄H₁₄O₂S₂

SMILES:

S(=O)(=O)(CCSc1ccccc1)c1ccccc1

InChI:

InChI=1/C14H14O2S2/c15-18(16,14-9-5-2-6-10-14)12-11-17-13-7-3-1-4-8-13/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.8328 kcal/mol

Physical Properties
Molecular Weight: 278.396 g/mol	logS: -4.34131	SlogP: 3.2526	Reactive groups: 0

Topological Properties
Globularity: 0.051819	Sterimol/B1: 3.38929	Sterimol/B2: 3.61947	Sterimol/B3: 3.62025
Sterimol/B4: 4.47588	Sterimol/L: 16.9448

Surface and Volume Properties
Accessible surface: 505.781	Positive charged surface: 242.11	Negative charged surface: 263.671	Volume: 256.25
Hydrophobic surface: 415.402	Hydrophilic surface: 90.379

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.