MMsINC Database Search


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MMsINC code: MMs01430638

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4571 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.69183	SlogP: 1.5168	Reactive groups: 0

Topological Properties
Globularity: 0.0325458	Sterimol/B1: 2.40957	Sterimol/B2: 2.44605	Sterimol/B3: 4.83235
Sterimol/B4: 5.63283	Sterimol/L: 17.3593

Surface and Volume Properties
Accessible surface: 530.743	Positive charged surface: 346.139	Negative charged surface: 184.604	Volume: 261.5
Hydrophobic surface: 342.746	Hydrophilic surface: 187.997

Pharmacophoric Properties
Hydrogen bond donors: 2	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.