MMsINC Database Search


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MMsINC code: MMs02212975

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O(C)c1ccccc1-c1nc(O)c2c(n1)cccc2

InChI:

InChI=1/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5097 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.81977	SlogP: 3.011	Reactive groups: 0

Topological Properties
Globularity: 0.00654784	Sterimol/B1: 2.36916	Sterimol/B2: 2.37939	Sterimol/B3: 2.5186
Sterimol/B4: 7.47805	Sterimol/L: 13.9246

Surface and Volume Properties
Accessible surface: 473.188	Positive charged surface: 297.119	Negative charged surface: 164.127	Volume: 241.75
Hydrophobic surface: 389.649	Hydrophilic surface: 83.539

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.