MMsINC Database Search


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MMsINC code: MMs02348005

Type: Neutral
Formula: C₁₅H₁₄O₃S

SMILES:

S(OC)(=O)(=O)C=C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O3S/c1-18-19(16,17)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0996 kcal/mol

Physical Properties
Molecular Weight: 274.34 g/mol	logS: -3.77423	SlogP: 2.86929	Reactive groups: 0

Topological Properties
Globularity: 0.211418	Sterimol/B1: 2.12986	Sterimol/B2: 3.7274	Sterimol/B3: 3.82725
Sterimol/B4: 9.52307	Sterimol/L: 11.7178

Surface and Volume Properties
Accessible surface: 483.989	Positive charged surface: 278.905	Negative charged surface: 205.084	Volume: 254.625
Hydrophobic surface: 427.412	Hydrophilic surface: 56.577

Pharmacophoric Properties
Hydrogen bond donors: 0	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.