MMsINC Database Search


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MMsINC code: MMs02345500

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

Oc1c2c(cccc2)c(cc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9567 kcal/mol

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

Topological Properties
Globularity: 0.0160594	Sterimol/B1: 2.33404	Sterimol/B2: 2.41035	Sterimol/B3: 4.29956
Sterimol/B4: 5.28035	Sterimol/L: 11.2364

Surface and Volume Properties
Accessible surface: 370.128	Positive charged surface: 204.124	Negative charged surface: 155.168	Volume: 183.375
Hydrophobic surface: 294.751	Hydrophilic surface: 75.377

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.