MMsINC Database Search


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MMsINC code: MMs02217790

Type: Neutral
Formula: C₂₆H₂₂O₄

SMILES:

Oc1ccc(cc1)C(C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C26H22O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-30H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.625 kcal/mol

Physical Properties
Molecular Weight: 398.458 g/mol	logS: -5.7133	SlogP: 5.473	Reactive groups: 0

Topological Properties
Globularity: 0.22533	Sterimol/B1: 2.45525	Sterimol/B2: 4.11067	Sterimol/B3: 5.31852
Sterimol/B4: 7.87399	Sterimol/L: 13.0789

Surface and Volume Properties
Accessible surface: 651.36	Positive charged surface: 404.423	Negative charged surface: 246.937	Volume: 385.75
Hydrophobic surface: 443.036	Hydrophilic surface: 208.324

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.