MMsINC Database Search


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MMsINC code: MMs03135144

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

O1Cc2cc(COc3c(-c4cc(-c5c1cccc5)ccc4)cccc3)ccc2

InChI:

InChI=1/C26H20O2/c1-3-13-25-23(11-1)21-9-6-10-22(16-21)24-12-2-4-14-26(24)28-18-20-8-5-7-19(15-20)17-27-25/h1-16H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.104 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -8.2287	SlogP: 7.0248	Reactive groups: 0

Topological Properties
Globularity: 0.0426028	Sterimol/B1: 2.46091	Sterimol/B2: 3.60036	Sterimol/B3: 4.29656
Sterimol/B4: 9.62583	Sterimol/L: 15.3082

Surface and Volume Properties
Accessible surface: 580.724	Positive charged surface: 303.221	Negative charged surface: 257.699	Volume: 363.5
Hydrophobic surface: 570.382	Hydrophilic surface: 10.342

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.