MMsINC Database Search


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MMsINC code: MMs02663097

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

O(C(=O)c1cc(ccc1)C)c1cc(ccc1C)C

InChI:

InChI=1/C16H16O2/c1-11-5-4-6-14(9-11)16(17)18-15-10-12(2)7-8-13(15)3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5486 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -4.60725	SlogP: 3.83106	Reactive groups: 0

Topological Properties
Globularity: 0.0989977	Sterimol/B1: 2.4612	Sterimol/B2: 3.7949	Sterimol/B3: 5.65752
Sterimol/B4: 5.80756	Sterimol/L: 14.6412

Surface and Volume Properties
Accessible surface: 494.35	Positive charged surface: 287.509	Negative charged surface: 206.841	Volume: 249.875
Hydrophobic surface: 468.37	Hydrophilic surface: 25.98

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.