MMsINC Database Search


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MMsINC code: MMs03382658

Type: Neutral
Formula: C₂₂H₁₄N₄O₂

SMILES:

OC(=O)c1c2c(nc(-c3ccccc3)c1-n1nnc3c1cccc3)cccc2

InChI:

InChI=1/C22H14N4O2/c27-22(28)19-15-10-4-5-11-16(15)23-20(14-8-2-1-3-9-14)21(19)26-18-13-7-6-12-17(18)24-25-26/h1-13H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.941 kcal/mol

Physical Properties
Molecular Weight: 366.38 g/mol	logS: -5.82765	SlogP: 4.3339	Reactive groups: 0

Topological Properties
Globularity: 0.115149	Sterimol/B1: 2.6799	Sterimol/B2: 3.12269	Sterimol/B3: 4.97222
Sterimol/B4: 8.48555	Sterimol/L: 14.469

Surface and Volume Properties
Accessible surface: 568.197	Positive charged surface: 288.019	Negative charged surface: 273.021	Volume: 334.125
Hydrophobic surface: 434.04	Hydrophilic surface: 134.157

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03382659
PUBCHEM-ZINC05775425