MMsINC Database Search


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MMsINC code: MMs02155522

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

OCc1cc(ccc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H16O/c20-14-18-13-17(15-7-3-1-4-8-15)11-12-19(18)16-9-5-2-6-10-16/h1-13,20H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6222 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -6.00866	SlogP: 4.7793	Reactive groups: 0

Topological Properties
Globularity: 0.0283258	Sterimol/B1: 2.88477	Sterimol/B2: 2.97064	Sterimol/B3: 3.8702
Sterimol/B4: 5.48084	Sterimol/L: 16.395

Surface and Volume Properties
Accessible surface: 510.758	Positive charged surface: 265.962	Negative charged surface: 229.542	Volume: 272
Hydrophobic surface: 456.69	Hydrophilic surface: 54.068

Pharmacophoric Properties
Hydrogen bond donors: 1	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.