MMsINC Database Search


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MMsINC code: MMs02254508

Type: Neutral
Formula: C₂₈H₁₈O₂

SMILES:

O=C(c1c2c(cccc2)c(c2c1cccc2)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C28H18O2/c29-27(19-11-3-1-4-12-19)25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28(30)20-13-5-2-6-14-20/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.615 kcal/mol

Physical Properties
Molecular Weight: 386.45 g/mol	logS: -9.28626	SlogP: 6.455	Reactive groups: 0

Topological Properties
Globularity: 0.105021	Sterimol/B1: 3.22661	Sterimol/B2: 5.28998	Sterimol/B3: 5.75662
Sterimol/B4: 6.3205	Sterimol/L: 17.3495

Surface and Volume Properties
Accessible surface: 634.335	Positive charged surface: 306.532	Negative charged surface: 318.877	Volume: 381
Hydrophobic surface: 582.796	Hydrophilic surface: 51.539

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.