MMsINC Database Search


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MMsINC code: MMs02348689

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1cc2c(cc(cc2)C(=O)C)cc1

InChI:

InChI=1/C12H10O2/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-7,14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4116 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -3.21308	SlogP: 2.748	Reactive groups: 0

Topological Properties
Globularity: 0.0106633	Sterimol/B1: 2.25892	Sterimol/B2: 2.51407	Sterimol/B3: 3.94882
Sterimol/B4: 4.32519	Sterimol/L: 12.9048

Surface and Volume Properties
Accessible surface: 383.037	Positive charged surface: 202.47	Negative charged surface: 169.946	Volume: 182.75
Hydrophobic surface: 290.744	Hydrophilic surface: 92.293

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.