MMsINC Database Search


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MMsINC code: MMs02932987

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCCc1ccccc1

InChI:

InChI=1/C19H23NO4/c1-22-16-12-15(13-17(23-2)18(16)24-3)19(21)20-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4081 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.71329	SlogP: 3.07497	Reactive groups: 0

Topological Properties
Globularity: 0.037413	Sterimol/B1: 1.969	Sterimol/B2: 3.43293	Sterimol/B3: 3.84061
Sterimol/B4: 8.63013	Sterimol/L: 18.3418

Surface and Volume Properties
Accessible surface: 639.794	Positive charged surface: 477.036	Negative charged surface: 162.758	Volume: 329.875
Hydrophobic surface: 577.26	Hydrophilic surface: 62.534

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.