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MMsINC code: MMs02900510

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(Cc1ccccc1)C(=O)NC(C(O)=O)c1ccccc1

InChI:

InChI=1/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7265 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.37157	SlogP: 3.1006	Reactive groups: 0

Topological Properties
Globularity: 0.0753378	Sterimol/B1: 3.0568	Sterimol/B2: 3.12664	Sterimol/B3: 3.91684
Sterimol/B4: 5.9776	Sterimol/L: 16.0822

Surface and Volume Properties
Accessible surface: 540.291	Positive charged surface: 298.357	Negative charged surface: 241.934	Volume: 271
Hydrophobic surface: 403.173	Hydrophilic surface: 137.118

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02900511
PUBCHEM-ZINC02556689