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MMsINC code: MMs03102257

Type: Ionized
Formula: C₁₅H₁₅N₂O₃-

SMILES:

O(C)c1ccccc1C(Nc1ncccc1C(=O)[O-])C

InChI:

InChI=1/C15H16N2O3/c1-10(11-6-3-4-8-13(11)20-2)17-14-12(15(18)19)7-5-9-16-14/h3-10H,1-2H3,(H,16,17)(H,18,19)/p-1/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0166 kcal/mol

Physical Properties
Molecular Weight: 271.296 g/mol	logS: -2.6098	SlogP: 1.7223	Reactive groups: 0

Topological Properties
Globularity: 0.162365	Sterimol/B1: 2.01738	Sterimol/B2: 4.87173	Sterimol/B3: 5.0387
Sterimol/B4: 6.23795	Sterimol/L: 13.6015

Surface and Volume Properties
Accessible surface: 500.698	Positive charged surface: 326.2	Negative charged surface: 174.497	Volume: 262.375
Hydrophobic surface: 392.111	Hydrophilic surface: 108.587

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs03102256
PUBCHEM-ZINC04216354