MMsINC Database Search


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MMsINC code: MMs02263664

Type: Neutral
Formula: C₁₄H₁₂O₂

SMILES:

Oc1ccccc1C(=O)c1ccccc1C

InChI:

InChI=1/C14H12O2/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1384 kcal/mol

Physical Properties
Molecular Weight: 212.248 g/mol	logS: -3.56966	SlogP: 2.93162	Reactive groups: 0

Topological Properties
Globularity: 0.226057	Sterimol/B1: 2.30953	Sterimol/B2: 3.67799	Sterimol/B3: 4.86897
Sterimol/B4: 6.09746	Sterimol/L: 12.4276

Surface and Volume Properties
Accessible surface: 420.449	Positive charged surface: 230.855	Negative charged surface: 189.595	Volume: 212.5
Hydrophobic surface: 352.66	Hydrophilic surface: 67.789

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.