MMsINC Database Search


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MMsINC code: MMs03262974

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

OC(c1cc(ccc1)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O/c1-16-9-8-14-19(15-16)20(21,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.886 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -5.16562	SlogP: 4.59072	Reactive groups: 0

Topological Properties
Globularity: 0.419506	Sterimol/B1: 2.41346	Sterimol/B2: 5.03748	Sterimol/B3: 5.91527
Sterimol/B4: 6.35555	Sterimol/L: 12.1954

Surface and Volume Properties
Accessible surface: 511.98	Positive charged surface: 287.462	Negative charged surface: 224.518	Volume: 286.875
Hydrophobic surface: 491.214	Hydrophilic surface: 20.766

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.