MMsINC Database Search


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MMsINC code: MMs03540305

Type: Neutral
Formula: C₁₀H₁₀O₃

SMILES:

OC1C=Cc2c(cc(O)cc2)C1O

InChI:

InChI=1/C10H10O3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5,9-13H/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0312 kcal/mol

Physical Properties
Molecular Weight: 178.187 g/mol	logS: -1.21963	SlogP: 0.9088	Reactive groups: 0

Topological Properties
Globularity: 0.134354	Sterimol/B1: 3.24526	Sterimol/B2: 3.43668	Sterimol/B3: 3.5094
Sterimol/B4: 4.64718	Sterimol/L: 10.186

Surface and Volume Properties
Accessible surface: 359.742	Positive charged surface: 229.68	Negative charged surface: 130.062	Volume: 166.25
Hydrophobic surface: 202.451	Hydrophilic surface: 157.291

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.