MMsINC Database Search


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MMsINC code: MMs03280922

Type: Neutral
Formula: C₁₅H₁₀N₂O

SMILES:

Oc1c2c(nc3c1[nH]c1c3cccc1)cccc2

InChI:

InChI=1/C15H10N2O/c18-15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)15/h1-8,17H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3416 kcal/mol

Physical Properties
Molecular Weight: 234.258 g/mol	logS: -3.71685	SlogP: 3.5749	Reactive groups: 0

Topological Properties
Globularity: 0.00214504	Sterimol/B1: 2.09877	Sterimol/B2: 2.22173	Sterimol/B3: 2.94557
Sterimol/B4: 5.99169	Sterimol/L: 14.2189

Surface and Volume Properties
Accessible surface: 437.491	Positive charged surface: 234.904	Negative charged surface: 191.547	Volume: 219.25
Hydrophobic surface: 350.068	Hydrophilic surface: 87.423

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.