MMsINC Database Search


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MMsINC code: MMs03286440

Type: Neutral
Formula: C₁₄H₁₉NO₃

SMILES:

O(C(=O)C(NC(=O)C(C)(C)C)c1ccccc1)C

InChI:

InChI=1/C14H19NO3/c1-14(2,3)13(17)15-11(12(16)18-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,17)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2779 kcal/mol

Physical Properties
Molecular Weight: 249.31 g/mol	logS: -2.55185	SlogP: 2.1585	Reactive groups: 0

Topological Properties
Globularity: 0.151308	Sterimol/B1: 2.82581	Sterimol/B2: 4.50034	Sterimol/B3: 4.87081
Sterimol/B4: 5.50033	Sterimol/L: 12.7521

Surface and Volume Properties
Accessible surface: 498.509	Positive charged surface: 327.309	Negative charged surface: 171.201	Volume: 254.625
Hydrophobic surface: 400.498	Hydrophilic surface: 98.011

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.