MMsINC Database Search


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MMsINC code: MMs01298749

Type: Neutral
Formula: C₂₀H₂₅NO₅

SMILES:

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

InChI:

InChI=1/C20H25NO5/c1-6-19(22)21-20(13-7-9-15(23-2)17(11-13)25-4)14-8-10-16(24-3)18(12-14)26-5/h7-12,20H,6H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.075 kcal/mol

Physical Properties
Molecular Weight: 359.422 g/mol	logS: -3.70956	SlogP: 3.4321	Reactive groups: 0

Topological Properties
Globularity: 0.413877	Sterimol/B1: 2.44313	Sterimol/B2: 4.76523	Sterimol/B3: 4.88506
Sterimol/B4: 10.634	Sterimol/L: 14.2971

Surface and Volume Properties
Accessible surface: 659.079	Positive charged surface: 524.685	Negative charged surface: 134.393	Volume: 354.875
Hydrophobic surface: 568.215	Hydrophilic surface: 90.864

Pharmacophoric Properties
Hydrogen bond donors: 1	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.