MMsINC Database Search


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MMsINC code: MMs02320142

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

OC(Cc1ccccc1)(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.513 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -4.75317	SlogP: 4.47667	Reactive groups: 0

Topological Properties
Globularity: 0.213651	Sterimol/B1: 3.24087	Sterimol/B2: 3.62228	Sterimol/B3: 3.93195
Sterimol/B4: 7.2905	Sterimol/L: 14.2595

Surface and Volume Properties
Accessible surface: 504.614	Positive charged surface: 293.481	Negative charged surface: 211.133	Volume: 288.875
Hydrophobic surface: 484.607	Hydrophilic surface: 20.007

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.