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MMsINC code: MMs03951097

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(Cc1ccccc1)C(=O)N(C(C(C)C)C(O)=O)C

InChI:

InChI=1/C14H19NO4/c1-10(2)12(13(16)17)15(3)14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,17)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0608 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.22843	SlogP: 2.6306	Reactive groups: 0

Topological Properties
Globularity: 0.0733621	Sterimol/B1: 2.26616	Sterimol/B2: 3.58776	Sterimol/B3: 3.7087
Sterimol/B4: 6.39907	Sterimol/L: 15.2822

Surface and Volume Properties
Accessible surface: 511.902	Positive charged surface: 333.179	Negative charged surface: 178.723	Volume: 261
Hydrophobic surface: 368.472	Hydrophilic surface: 143.43

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03951098
VITASM-ZINC02540583