MMsINC Database Search


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MMsINC code: MMs00058140

Type: Neutral
Formula: C₂₈H₂₂O₃

SMILES:

O(C)c1ccccc1C(c1c2c(ccc1O)cccc2)c1c2c(ccc1O)cccc2

InChI:

InChI=1/C28H22O3/c1-31-25-13-7-6-12-22(25)28(26-20-10-4-2-8-18(20)14-16-23(26)29)27-21-11-5-3-9-19(21)15-17-24(27)30/h2-17,28-30H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=193.741 kcal/mol

Physical Properties
Molecular Weight: 406.481 g/mol	logS: -7.91251	SlogP: 6.593	Reactive groups: 0

Topological Properties
Globularity: 0.346877	Sterimol/B1: 2.55424	Sterimol/B2: 6.1364	Sterimol/B3: 7.36045
Sterimol/B4: 7.40524	Sterimol/L: 12.7477

Surface and Volume Properties
Accessible surface: 620.989	Positive charged surface: 365.083	Negative charged surface: 245.01	Volume: 391.125
Hydrophobic surface: 589.598	Hydrophilic surface: 31.391

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: 0

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Ions/Tautomers related molecules: no related molecules available.