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MMsINC code: MMs02197891

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C(=O)c1ccccc1Nc1ccccc1C(OC)=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.115 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.76866	SlogP: 3.0034	Reactive groups: 0

Topological Properties
Globularity: 0.099344	Sterimol/B1: 2.14183	Sterimol/B2: 2.51169	Sterimol/B3: 4.51598
Sterimol/B4: 8.36983	Sterimol/L: 12.5084

Surface and Volume Properties
Accessible surface: 523.618	Positive charged surface: 364.119	Negative charged surface: 159.499	Volume: 268.25
Hydrophobic surface: 465.149	Hydrophilic surface: 58.469

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.