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MMsINC code: MMs00867945

Type: Neutral
Formula: C₁₈H₁₉NO₄

SMILES:

O(CCCC(=O)Nc1ccccc1C(O)=O)c1ccc(cc1)C

InChI:

InChI=1/C18H19NO4/c1-13-8-10-14(11-9-13)23-12-4-7-17(20)19-16-6-3-2-5-15(16)18(21)22/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9168 kcal/mol

Physical Properties
Molecular Weight: 313.353 g/mol	logS: -3.9587	SlogP: 3.49092	Reactive groups: 0

Topological Properties
Globularity: 0.010391	Sterimol/B1: 2.56966	Sterimol/B2: 2.84628	Sterimol/B3: 4.43244
Sterimol/B4: 5.28988	Sterimol/L: 19.6058

Surface and Volume Properties
Accessible surface: 604.195	Positive charged surface: 374.714	Negative charged surface: 229.481	Volume: 303.625
Hydrophobic surface: 478.34	Hydrophilic surface: 125.855

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs00867946
CHEMDIV-ZINC01773342