MMsINC Database Search


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MMsINC code: MMs02823960

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1ccccc1N

InChI:

InChI=1/C14H12N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4888 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.04515	SlogP: 2.2193	Reactive groups: 0

Topological Properties
Globularity: 0.0248087	Sterimol/B1: 2.097	Sterimol/B2: 3.23308	Sterimol/B3: 3.36
Sterimol/B4: 6.30315	Sterimol/L: 13.8905

Surface and Volume Properties
Accessible surface: 461.46	Positive charged surface: 270.833	Negative charged surface: 190.627	Volume: 234.5
Hydrophobic surface: 304.542	Hydrophilic surface: 156.918

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs02823961
PUBCHEM-ZINC01845979