MMsINC Database Search


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MMsINC code: MMs03481226

Type: Neutral
Formula: C₁₇H₁₇NO₄

SMILES:

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

InChI:

InChI=1/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.528 kcal/mol

Physical Properties
Molecular Weight: 299.326 g/mol	logS: -3.50454	SlogP: 1.7871	Reactive groups: 0

Topological Properties
Globularity: 0.197766	Sterimol/B1: 2.21319	Sterimol/B2: 3.29977	Sterimol/B3: 4.41202
Sterimol/B4: 9.77837	Sterimol/L: 13.6093

Surface and Volume Properties
Accessible surface: 539.363	Positive charged surface: 319.637	Negative charged surface: 219.726	Volume: 287.25
Hydrophobic surface: 450.118	Hydrophilic surface: 89.245

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.