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MMsINC code: MMs00537463

Type: Neutral
Formula: C₁₇H₁₇NO₃

SMILES:

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

InChI:

InChI=1/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0319 kcal/mol

Physical Properties
Molecular Weight: 283.327 g/mol	logS: -4.03429	SlogP: 2.8163	Reactive groups: 0

Topological Properties
Globularity: 0.109421	Sterimol/B1: 2.67069	Sterimol/B2: 3.44341	Sterimol/B3: 4.30948
Sterimol/B4: 8.138	Sterimol/L: 15.5072

Surface and Volume Properties
Accessible surface: 551.57	Positive charged surface: 321.741	Negative charged surface: 229.829	Volume: 281
Hydrophobic surface: 467.336	Hydrophilic surface: 84.234

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.