MMsINC Database Search


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MMsINC code: MMs03224190

Type: Neutral
Formula: C₂₄H₂₆O₆

SMILES:

O(C)c1cc(OC)ccc1C(O)(c1ccc(OC)cc1OC)c1ccc(OC)cc1

InChI:

InChI=1/C24H26O6/c1-26-17-8-6-16(7-9-17)24(25,20-12-10-18(27-2)14-22(20)29-4)21-13-11-19(28-3)15-23(21)30-5/h6-15,25H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.508 kcal/mol

Physical Properties
Molecular Weight: 410.466 g/mol	logS: -4.9436	SlogP: 4.3253	Reactive groups: 0

Topological Properties
Globularity: 0.289447	Sterimol/B1: 2.35665	Sterimol/B2: 3.28679	Sterimol/B3: 6.12352
Sterimol/B4: 12.0493	Sterimol/L: 15.0015

Surface and Volume Properties
Accessible surface: 666.451	Positive charged surface: 538.816	Negative charged surface: 127.635	Volume: 394
Hydrophobic surface: 609.366	Hydrophilic surface: 57.085

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.