MMsINC Database Search


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MMsINC code: MMs01616163

Type: Neutral
Formula: C₁₈H₂₁NO₆

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)cc1OC

InChI:

InChI=1/C18H21NO6/c1-21-11-6-7-13(15(8-11)23-3)19-18(20)12-9-16(24-4)17(25-5)10-14(12)22-2/h6-10H,1-5H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.957 kcal/mol

Physical Properties
Molecular Weight: 347.367 g/mol	logS: -3.60677	SlogP: 2.9819	Reactive groups: 0

Topological Properties
Globularity: 0.026511	Sterimol/B1: 2.52997	Sterimol/B2: 3.73517	Sterimol/B3: 3.83867
Sterimol/B4: 8.30233	Sterimol/L: 18.0938

Surface and Volume Properties
Accessible surface: 622.508	Positive charged surface: 518.606	Negative charged surface: 103.903	Volume: 324.875
Hydrophobic surface: 557.597	Hydrophilic surface: 64.911

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.