MMsINC Database Search


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MMsINC code: MMs02280921

Type: Neutral
Formula: C₂₇H₂₀O₃

SMILES:

O(C(c1ccccc1)c1ccccc1)C(=O)c1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C27H20O3/c28-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(29)30-26(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.426 kcal/mol

Physical Properties
Molecular Weight: 392.454 g/mol	logS: -7.37522	SlogP: 5.9595	Reactive groups: 0

Topological Properties
Globularity: 0.35724	Sterimol/B1: 2.23322	Sterimol/B2: 4.12825	Sterimol/B3: 7.37476
Sterimol/B4: 8.59253	Sterimol/L: 12.8117

Surface and Volume Properties
Accessible surface: 679.421	Positive charged surface: 352.539	Negative charged surface: 326.883	Volume: 391.125
Hydrophobic surface: 640.943	Hydrophilic surface: 38.478

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: 1

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Ions/Tautomers related molecules: no related molecules available.