MMsINC Database Search


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MMsINC code: MMs02862214

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

OC(C(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-21H/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.103 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -4.62773	SlogP: 4.6476	Reactive groups: 0

Topological Properties
Globularity: 0.211702	Sterimol/B1: 3.41843	Sterimol/B2: 3.86449	Sterimol/B3: 4.37226
Sterimol/B4: 6.5684	Sterimol/L: 14.2499

Surface and Volume Properties
Accessible surface: 508.625	Positive charged surface: 286.679	Negative charged surface: 221.946	Volume: 289.125
Hydrophobic surface: 474.404	Hydrophilic surface: 34.221

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.