MMsINC Database Search


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MMsINC code: MMs00264285

Type: Neutral
Formula: C₁₄H₂₁NO₅

SMILES:

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

InChI:

InChI=1/C14H21NO5/c1-17-7-5-6-15-14(16)10-8-11(18-2)13(20-4)12(9-10)19-3/h8-9H,5-7H2,1-4H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.932 kcal/mol

Physical Properties
Molecular Weight: 283.324 g/mol	logS: -2.02656	SlogP: 1.4787	Reactive groups: 0

Topological Properties
Globularity: 0.0221273	Sterimol/B1: 2.6884	Sterimol/B2: 2.94153	Sterimol/B3: 5.38651
Sterimol/B4: 5.77221	Sterimol/L: 17.6234

Surface and Volume Properties
Accessible surface: 565.086	Positive charged surface: 484.731	Negative charged surface: 80.3546	Volume: 278
Hydrophobic surface: 493.695	Hydrophilic surface: 71.391

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.