MMsINC Database Search


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MMsINC code: MMs03540285

Type: Neutral
Formula: C₁₀H₁₀O₃

SMILES:

OC1C=Cc2c(ccc(O)c2)C1O

InChI:

InChI=1/C10H10O3/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/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)=46.957 kcal/mol

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

Topological Properties
Globularity: 0.138476	Sterimol/B1: 2.96031	Sterimol/B2: 3.38671	Sterimol/B3: 3.56471
Sterimol/B4: 5.26399	Sterimol/L: 10.5709

Surface and Volume Properties
Accessible surface: 357.351	Positive charged surface: 228.91	Negative charged surface: 128.441	Volume: 165.625
Hydrophobic surface: 203.332	Hydrophilic surface: 154.019

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.