MMsINC Database Search


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MMsINC code: MMs02214729

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

O(C)c1cc2c(cc(O)cc2)cc1

InChI:

InChI=1/C11H10O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8926 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -2.95119	SlogP: 2.554	Reactive groups: 0

Topological Properties
Globularity: 0.0116978	Sterimol/B1: 2.35995	Sterimol/B2: 2.38835	Sterimol/B3: 4.07588
Sterimol/B4: 4.10691	Sterimol/L: 12.7182

Surface and Volume Properties
Accessible surface: 374.642	Positive charged surface: 232.593	Negative charged surface: 130.121	Volume: 171.5
Hydrophobic surface: 313.412	Hydrophilic surface: 61.23

Pharmacophoric Properties
Hydrogen bond donors: 1	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.