MMsINC Database Search


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MMsINC code: MMs03254207

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(CC(=O)NC(C(C)C)C(OC)=O)c1ccccc1

InChI:

InChI=1/C14H19NO4/c1-10(2)13(14(17)18-3)15-12(16)9-19-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3,(H,15,16)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.858 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.74675	SlogP: 1.3792	Reactive groups: 0

Topological Properties
Globularity: 0.0379757	Sterimol/B1: 2.89356	Sterimol/B2: 2.90606	Sterimol/B3: 3.23392
Sterimol/B4: 5.93375	Sterimol/L: 16.924

Surface and Volume Properties
Accessible surface: 518.569	Positive charged surface: 352.569	Negative charged surface: 166.001	Volume: 260.75
Hydrophobic surface: 411.653	Hydrophilic surface: 106.916

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.