MMsINC Database Search


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MMsINC code: MMs02143601

Type: Neutral
Formula: C₉H₈O₂

SMILES:

o1c2c(cc(cc2)CO)cc1

InChI:

InChI=1/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0956 kcal/mol

Physical Properties
Molecular Weight: 148.161 g/mol	logS: -2.60123	SlogP: 2.1915	Reactive groups: 0

Topological Properties
Globularity: 0.0333059	Sterimol/B1: 2.23759	Sterimol/B2: 2.89521	Sterimol/B3: 2.96394
Sterimol/B4: 5.1216	Sterimol/L: 11.3134

Surface and Volume Properties
Accessible surface: 334.28	Positive charged surface: 189.085	Negative charged surface: 139.108	Volume: 144.75
Hydrophobic surface: 258.219	Hydrophilic surface: 76.061

Pharmacophoric Properties
Hydrogen bond donors: 1	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.