MMsINC Database Search


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MMsINC code: MMs00835903

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H23NO5/c1-22-14-6-7-15(17(12-14)24-3)19(21)20-10-9-13-5-8-16(23-2)18(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.053 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.5619	SlogP: 2.69347	Reactive groups: 0

Topological Properties
Globularity: 0.0807899	Sterimol/B1: 2.1171	Sterimol/B2: 3.5096	Sterimol/B3: 5.96198
Sterimol/B4: 8.10658	Sterimol/L: 20.0426

Surface and Volume Properties
Accessible surface: 646.425	Positive charged surface: 511.49	Negative charged surface: 134.934	Volume: 337.125
Hydrophobic surface: 576.031	Hydrophilic surface: 70.394

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.