MMsINC Database Search


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MMsINC code: MMs02696677

Type: Neutral
Formula: C₂₁H₁₄N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C21H14N2O3/c24-19(14-6-2-1-3-7-14)22-15-10-12-16(13-11-15)23-20(25)17-8-4-5-9-18(17)21(23)26/h1-13H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.056 kcal/mol

Physical Properties
Molecular Weight: 342.354 g/mol	logS: -5.72858	SlogP: 3.7395	Reactive groups: 0

Topological Properties
Globularity: 0.00679886	Sterimol/B1: 2.5204	Sterimol/B2: 2.73168	Sterimol/B3: 4.03186
Sterimol/B4: 4.06308	Sterimol/L: 20.1692

Surface and Volume Properties
Accessible surface: 579.064	Positive charged surface: 297.522	Negative charged surface: 281.541	Volume: 317.25
Hydrophobic surface: 473.681	Hydrophilic surface: 105.383

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.