MMsINC Database Search


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MMsINC code: MMs00092931

Type: Neutral
Formula: C₁₆H₁₀N₂O₃

SMILES:

o1c2c(nc1CN1C(=O)c3c(cccc3)C1=O)cccc2

InChI:

InChI=1/C16H10N2O3/c19-15-10-5-1-2-6-11(10)16(20)18(15)9-14-17-12-7-3-4-8-13(12)21-14/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.8579 kcal/mol

Physical Properties
Molecular Weight: 278.267 g/mol	logS: -4.16446	SlogP: 2.8904	Reactive groups: 0

Topological Properties
Globularity: 0.130283	Sterimol/B1: 2.097	Sterimol/B2: 3.31011	Sterimol/B3: 4.68537
Sterimol/B4: 5.61799	Sterimol/L: 14.311

Surface and Volume Properties
Accessible surface: 497.807	Positive charged surface: 270.764	Negative charged surface: 227.043	Volume: 249.75
Hydrophobic surface: 375.922	Hydrophilic surface: 121.885

Pharmacophoric Properties
Hydrogen bond donors: 0	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.