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MMsINC code: MMs02767647

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

OC(=O)C(CCc1ccccc1)c1ccccc1

InChI:

InChI=1/C16H16O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3537 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -3.6349	SlogP: 3.48757	Reactive groups: 0

Topological Properties
Globularity: 0.141245	Sterimol/B1: 2.8051	Sterimol/B2: 3.66447	Sterimol/B3: 4.16507
Sterimol/B4: 6.07818	Sterimol/L: 14.1826

Surface and Volume Properties
Accessible surface: 484.086	Positive charged surface: 272.608	Negative charged surface: 211.478	Volume: 249.625
Hydrophobic surface: 411	Hydrophilic surface: 73.086

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02767648
PUBCHEM-ZINC01090534