MMsINC Database Search


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MMsINC code: MMs02397971

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

OCc1ccccc1C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O/c21-15-18-13-7-8-14-19(18)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20-21H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.151 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -4.91474	SlogP: 4.6255	Reactive groups: 0

Topological Properties
Globularity: 0.383294	Sterimol/B1: 2.45763	Sterimol/B2: 3.84009	Sterimol/B3: 5.42115
Sterimol/B4: 9.34252	Sterimol/L: 11.1418

Surface and Volume Properties
Accessible surface: 516.162	Positive charged surface: 299.414	Negative charged surface: 216.747	Volume: 288.75
Hydrophobic surface: 462.062	Hydrophilic surface: 54.1

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.