MMsINC Database Search


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MMsINC code: MMs02295239

Type: Neutral
Formula: C₂₈H₂₀O

SMILES:

O=C(c1c2cc(ccc2ccc1)Cc1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C28H20O/c29-28(23-9-2-1-3-10-23)26-15-7-12-22-17-16-20(19-27(22)26)18-24-13-6-11-21-8-4-5-14-25(21)24/h1-17,19H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.66 kcal/mol

Physical Properties
Molecular Weight: 372.467 g/mol	logS: -9.32983	SlogP: 6.81477	Reactive groups: 0

Topological Properties
Globularity: 0.144053	Sterimol/B1: 2.45083	Sterimol/B2: 3.03878	Sterimol/B3: 5.30102
Sterimol/B4: 9.71944	Sterimol/L: 14.2555

Surface and Volume Properties
Accessible surface: 609.308	Positive charged surface: 324.559	Negative charged surface: 269.439	Volume: 380.875
Hydrophobic surface: 577.332	Hydrophilic surface: 31.976

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.