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MMsINC code: MMs03684483

Type: Neutral
Formula: C₁₄H₁₇NO₄

SMILES:

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

InChI:

InChI=1/C14H17NO4/c1-9(2)8-11(14(18)19)15-13(17)12(16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2181 kcal/mol

Physical Properties
Molecular Weight: 263.293 g/mol	logS: -3.41762	SlogP: 1.4848	Reactive groups: 0

Topological Properties
Globularity: 0.104157	Sterimol/B1: 1.969	Sterimol/B2: 3.3489	Sterimol/B3: 5.1977
Sterimol/B4: 6.33737	Sterimol/L: 14.9413

Surface and Volume Properties
Accessible surface: 502.014	Positive charged surface: 292.609	Negative charged surface: 209.404	Volume: 253.125
Hydrophobic surface: 313.849	Hydrophilic surface: 188.165

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03684484
PUBCHEM-ZINC06358110