MMsINC Database Search


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MMsINC code: MMs02384776

Type: Neutral
Formula: C₂₆H₂₂O

SMILES:

O(C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C26H22O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.472 kcal/mol

Physical Properties
Molecular Weight: 350.461 g/mol	logS: -6.80478	SlogP: 6.7732	Reactive groups: 0

Topological Properties
Globularity: 0.468718	Sterimol/B1: 4.22836	Sterimol/B2: 5.11436	Sterimol/B3: 6.47095
Sterimol/B4: 7.4362	Sterimol/L: 14.341

Surface and Volume Properties
Accessible surface: 619.387	Positive charged surface: 334.912	Negative charged surface: 284.475	Volume: 365.75
Hydrophobic surface: 616.031	Hydrophilic surface: 3.356

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: 1

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Ions/Tautomers related molecules: no related molecules available.