MMsINC Database Search


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MMsINC code: MMs02356517

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1cc2c(cc1)C(=O)c1c(C2)cccc1

InChI:

InChI=1/C14H10O2/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14(13)16/h1-6,8,15H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5925 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -3.56662	SlogP: 2.52737	Reactive groups: 0

Topological Properties
Globularity: 0.0254528	Sterimol/B1: 2.13944	Sterimol/B2: 3.18686	Sterimol/B3: 3.31279
Sterimol/B4: 5.25481	Sterimol/L: 12.7202

Surface and Volume Properties
Accessible surface: 404.559	Positive charged surface: 226.292	Negative charged surface: 178.266	Volume: 201
Hydrophobic surface: 315.709	Hydrophilic surface: 88.85

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.