MMsINC Database Search


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MMsINC code: MMs00781841

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(C(=O)c1ccc(NC(=O)CCOCC)cc1)CC

InChI:

InChI=1/C14H19NO4/c1-3-18-10-9-13(16)15-12-7-5-11(6-8-12)14(17)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2297 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.64768	SlogP: 2.2284	Reactive groups: 0

Topological Properties
Globularity: 0.0141208	Sterimol/B1: 2.85383	Sterimol/B2: 2.87001	Sterimol/B3: 3.43613
Sterimol/B4: 5.81652	Sterimol/L: 19.3179

Surface and Volume Properties
Accessible surface: 559.2	Positive charged surface: 397.119	Negative charged surface: 162.081	Volume: 265
Hydrophobic surface: 424.272	Hydrophilic surface: 134.928

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.