MMsINC Database Search


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MMsINC code: MMs00060590

Type: Neutral
Formula: C₁₃H₁₀N₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)Nc1ncccc1

InChI:

InChI=1/C13H10N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h1-8H,(H,17,18)(H,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7751 kcal/mol

Physical Properties
Molecular Weight: 242.234 g/mol	logS: -2.37739	SlogP: 2.0321	Reactive groups: 0

Topological Properties
Globularity: 0.0468588	Sterimol/B1: 2.50563	Sterimol/B2: 2.62086	Sterimol/B3: 3.39911
Sterimol/B4: 7.14248	Sterimol/L: 14.0508

Surface and Volume Properties
Accessible surface: 448.739	Positive charged surface: 273.498	Negative charged surface: 175.241	Volume: 219.25
Hydrophobic surface: 319.944	Hydrophilic surface: 128.795

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

MMs00060591
ASINEX-ZINC00032141