MMsINC Database Search


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MMsINC code: MMs03793212

Type: Neutral
Formula: C₂₃H₁₆N₄O₃

SMILES:

O=C1N(c2ccccc2C(=O)NCc2[nH]c3c(n2)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C23H16N4O3/c28-21(24-13-20-25-17-10-4-5-11-18(17)26-20)16-9-3-6-12-19(16)27-22(29)14-7-1-2-8-15(14)23(27)30/h1-12H,13H2,(H,24,28)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.15 kcal/mol

Physical Properties
Molecular Weight: 396.406 g/mol	logS: -5.92414	SlogP: 3.5599	Reactive groups: 0

Topological Properties
Globularity: 0.0667371	Sterimol/B1: 2.28926	Sterimol/B2: 3.29202	Sterimol/B3: 4.7664
Sterimol/B4: 9.59473	Sterimol/L: 18.0298

Surface and Volume Properties
Accessible surface: 660.833	Positive charged surface: 353.93	Negative charged surface: 306.903	Volume: 363
Hydrophobic surface: 519.724	Hydrophilic surface: 141.109

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.