MMsINC Database Search


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MMsINC code: MMs00287786

Type: Neutral
Formula: C₂₆H₂₂O₄

SMILES:

O(c1ccc(cc1)-c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C26H22O4/c1-27-21-11-15-25(16-12-21)29-23-7-3-19(4-8-23)20-5-9-24(10-6-20)30-26-17-13-22(28-2)14-18-26/h3-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.65 kcal/mol

Physical Properties
Molecular Weight: 398.458 g/mol	logS: -7.47744	SlogP: 6.9554	Reactive groups: 0

Topological Properties
Globularity: 0.0251059	Sterimol/B1: 3.17329	Sterimol/B2: 3.61161	Sterimol/B3: 3.64334
Sterimol/B4: 5.05813	Sterimol/L: 24.5866

Surface and Volume Properties
Accessible surface: 712.212	Positive charged surface: 440.74	Negative charged surface: 260.469	Volume: 394
Hydrophobic surface: 691.858	Hydrophilic surface: 20.354

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.