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MMsINC code: MMs03615636

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C)c1ccc(cc1NC(=O)c1ccccc1C)C(O)=O

InChI:

InChI=1/C16H15NO4/c1-10-5-3-4-6-12(10)15(18)17-13-9-11(16(19)20)7-8-14(13)21-2/h3-9H,1-2H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1988 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.84857	SlogP: 2.95412	Reactive groups: 0

Topological Properties
Globularity: 0.0287755	Sterimol/B1: 2.11626	Sterimol/B2: 3.29996	Sterimol/B3: 3.58071
Sterimol/B4: 8.10401	Sterimol/L: 14.1271

Surface and Volume Properties
Accessible surface: 514.468	Positive charged surface: 322.995	Negative charged surface: 191.473	Volume: 266.25
Hydrophobic surface: 389.89	Hydrophilic surface: 124.578

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

MMs03615637
PUBCHEM-ZINC06207842