MMsINC Database Search


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MMsINC code: MMs02668382

Type: Neutral
Formula: C₁₅H₁₉NO₅

SMILES:

O(C(=O)c1ccc(cc1NC(=O)CC(C)C)C(OC)=O)C

InChI:

InChI=1/C15H19NO5/c1-9(2)7-13(17)16-12-8-10(14(18)20-3)5-6-11(12)15(19)21-4/h5-6,8-9H,7H2,1-4H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8782 kcal/mol

Physical Properties
Molecular Weight: 293.319 g/mol	logS: -3.59	SlogP: 2.2444	Reactive groups: 0

Topological Properties
Globularity: 0.0515983	Sterimol/B1: 2.56944	Sterimol/B2: 3.93688	Sterimol/B3: 4.33784
Sterimol/B4: 9.08039	Sterimol/L: 14.8301

Surface and Volume Properties
Accessible surface: 558.18	Positive charged surface: 415.357	Negative charged surface: 142.823	Volume: 280.25
Hydrophobic surface: 422.01	Hydrophilic surface: 136.17

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.