MMsINC Database Search


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MMsINC code: MMs02332969

Type: Neutral
Formula: C₂₁H₂₄O₆

SMILES:

O(C)c1cc(ccc1OC)C(=CC(OCC)=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C21H24O6/c1-6-27-21(22)13-16(14-7-9-17(23-2)19(11-14)25-4)15-8-10-18(24-3)20(12-15)26-5/h7-13H,6H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.099 kcal/mol

Physical Properties
Molecular Weight: 372.417 g/mol	logS: -4.57865	SlogP: 3.53309	Reactive groups: 0

Topological Properties
Globularity: 0.240066	Sterimol/B1: 2.07296	Sterimol/B2: 4.72745	Sterimol/B3: 4.83438
Sterimol/B4: 11.6935	Sterimol/L: 15.4345

Surface and Volume Properties
Accessible surface: 671.594	Positive charged surface: 539.791	Negative charged surface: 131.803	Volume: 365.125
Hydrophobic surface: 593.501	Hydrophilic surface: 78.093

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.