MMsINC Database Search


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MMsINC code: MMs00608586

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c21-18(14-5-4-12-19-13-14)20-15-8-10-17(11-9-15)22-16-6-2-1-3-7-16/h1-13H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1799 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -3.87944	SlogP: 4.1262	Reactive groups: 0

Topological Properties
Globularity: 0.0602307	Sterimol/B1: 2.23756	Sterimol/B2: 2.56401	Sterimol/B3: 4.82922
Sterimol/B4: 5.24941	Sterimol/L: 18.2595

Surface and Volume Properties
Accessible surface: 539.431	Positive charged surface: 323.023	Negative charged surface: 216.408	Volume: 281.25
Hydrophobic surface: 485.705	Hydrophilic surface: 53.726

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.