MMsINC Database Search


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MMsINC code: MMs00609590

Type: Neutral
Formula: C₁₈H₁₈O₆

SMILES:

O(C)c1c(OC)cc(cc1OC)C(Oc1ccccc1C(=O)C)=O

InChI:

InChI=1/C18H18O6/c1-11(19)13-7-5-6-8-14(13)24-18(20)12-9-15(21-2)17(23-4)16(10-12)22-3/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.869 kcal/mol

Physical Properties
Molecular Weight: 330.336 g/mol	logS: -3.96235	SlogP: 3.1342	Reactive groups: 0

Topological Properties
Globularity: 0.148061	Sterimol/B1: 2.33034	Sterimol/B2: 5.78477	Sterimol/B3: 5.9669
Sterimol/B4: 7.61225	Sterimol/L: 16.167

Surface and Volume Properties
Accessible surface: 587.96	Positive charged surface: 425.747	Negative charged surface: 162.213	Volume: 308
Hydrophobic surface: 519.072	Hydrophilic surface: 68.888

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.