MMsINC Database Search


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MMsINC code: MMs02382894

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

O1c2c(cc(cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C14H10O2/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5922 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -4.48056	SlogP: 3.33172	Reactive groups: 0

Topological Properties
Globularity: 0.0101997	Sterimol/B1: 2.50485	Sterimol/B2: 2.54075	Sterimol/B3: 3.61382
Sterimol/B4: 5.00687	Sterimol/L: 13.3168

Surface and Volume Properties
Accessible surface: 411.954	Positive charged surface: 229.038	Negative charged surface: 182.916	Volume: 203
Hydrophobic surface: 374.565	Hydrophilic surface: 37.389

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.