MMsINC Database Search


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MMsINC code: MMs02378889

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

O(Cc1ccccc1)c1cc2c(cc1)C(O)CC2

InChI:

InChI=1/C16H16O2/c17-16-9-6-13-10-14(7-8-15(13)16)18-11-12-4-2-1-3-5-12/h1-5,7-8,10,16-17H,6,9,11H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.349 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -3.35982	SlogP: 3.60707	Reactive groups: 0

Topological Properties
Globularity: 0.0623431	Sterimol/B1: 3.53892	Sterimol/B2: 3.54144	Sterimol/B3: 3.77532
Sterimol/B4: 4.56851	Sterimol/L: 15.8244

Surface and Volume Properties
Accessible surface: 493.032	Positive charged surface: 303.268	Negative charged surface: 189.764	Volume: 247.875
Hydrophobic surface: 435.764	Hydrophilic surface: 57.268

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.