MMsINC Database Search


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MMsINC code: MMs02154076

Type: Neutral
Formula: C₂₈H₂₆O₃

SMILES:

O(CC(O)(c1ccccc1)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C28H26O3/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-31-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.403 kcal/mol

Physical Properties
Molecular Weight: 410.513 g/mol	logS: -6.3997	SlogP: 5.4982	Reactive groups: 0

Topological Properties
Globularity: 0.244658	Sterimol/B1: 2.7259	Sterimol/B2: 3.03324	Sterimol/B3: 7.55446
Sterimol/B4: 8.36072	Sterimol/L: 16.6518

Surface and Volume Properties
Accessible surface: 687.159	Positive charged surface: 409.537	Negative charged surface: 277.622	Volume: 418.5
Hydrophobic surface: 646.998	Hydrophilic surface: 40.161

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.