MMsINC Database Search


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MMsINC code: MMs02546600

Type: Neutral
Formula: C₉H₈O₂

SMILES:

o1c2c(cccc2OC)cc1

InChI:

InChI=1/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0006 kcal/mol

Physical Properties
Molecular Weight: 148.161 g/mol	logS: -2.88059	SlogP: 2.4414	Reactive groups: 0

Topological Properties
Globularity: 0.0151968	Sterimol/B1: 2.37324	Sterimol/B2: 2.37684	Sterimol/B3: 2.98878
Sterimol/B4: 5.42747	Sterimol/L: 10.5089

Surface and Volume Properties
Accessible surface: 330.797	Positive charged surface: 198.555	Negative charged surface: 126.419	Volume: 144.125
Hydrophobic surface: 308.191	Hydrophilic surface: 22.606

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.