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MMsINC code: MMs02636752

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O=C/1NC(=O)C\C\1=C\Nc1ccccc1

InChI:

InChI=1/C11H10N2O2/c14-10-6-8(11(15)13-10)7-12-9-4-2-1-3-5-9/h1-5,7,12H,6H2,(H,13,14,15)/b8-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3092 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.05414	SlogP: 1.0289	Reactive groups: 0

Topological Properties
Globularity: 0.00619497	Sterimol/B1: 2.37992	Sterimol/B2: 2.38318	Sterimol/B3: 3.53806
Sterimol/B4: 4.22541	Sterimol/L: 14.1309

Surface and Volume Properties
Accessible surface: 403.398	Positive charged surface: 221.659	Negative charged surface: 181.74	Volume: 187.375
Hydrophobic surface: 268.805	Hydrophilic surface: 134.593

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02636753
PUBCHEM-ZINC00179007