MMsINC Database Search


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MMsINC code: MMs02753076

Type: Neutral
Formula: C₂₁H₁₈O₂

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C21H18O2/c1-16-9-8-14-19(15-16)23-21(22)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.937 kcal/mol

Physical Properties
Molecular Weight: 302.373 g/mol	logS: -5.67679	SlogP: 4.73252	Reactive groups: 0

Topological Properties
Globularity: 0.14871	Sterimol/B1: 3.34046	Sterimol/B2: 4.28384	Sterimol/B3: 5.03832
Sterimol/B4: 7.33879	Sterimol/L: 13.27

Surface and Volume Properties
Accessible surface: 569.064	Positive charged surface: 320.648	Negative charged surface: 248.416	Volume: 310.5
Hydrophobic surface: 547.486	Hydrophilic surface: 21.578

Pharmacophoric Properties
Hydrogen bond donors: 0	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.