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MMsINC code: MMs00733316

Type: Neutral
Formula: C₁₄H₂₁NO₃

SMILES:

O(CCCC)c1ccc(cc1)C(=O)NCCOC

InChI:

InChI=1/C14H21NO3/c1-3-4-10-18-13-7-5-12(6-8-13)14(16)15-9-11-17-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2003 kcal/mol

Physical Properties
Molecular Weight: 251.326 g/mol	logS: -2.76823	SlogP: 2.2417	Reactive groups: 0

Topological Properties
Globularity: 0.017536	Sterimol/B1: 2.80314	Sterimol/B2: 2.96317	Sterimol/B3: 3.49457
Sterimol/B4: 6.52477	Sterimol/L: 17.4137

Surface and Volume Properties
Accessible surface: 548.832	Positive charged surface: 411.898	Negative charged surface: 136.933	Volume: 262.875
Hydrophobic surface: 471.017	Hydrophilic surface: 77.815

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.