MMsINC Database Search


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MMsINC code: MMs02315140

Type: Neutral
Formula: C₁₀H₁₀N₂O

SMILES:

[O-][n+]1c(c2c(nc1C)cccc2)C

InChI:

InChI=1/C10H10N2O/c1-7-9-5-3-4-6-10(9)11-8(2)12(7)13/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5374 kcal/mol

Physical Properties
Molecular Weight: 174.203 g/mol	logS: -2.77339	SlogP: 1.48504	Reactive groups: 0

Topological Properties
Globularity: 0.0252732	Sterimol/B1: 1.969	Sterimol/B2: 2.51205	Sterimol/B3: 2.51344
Sterimol/B4: 7.15336	Sterimol/L: 10.8802

Surface and Volume Properties
Accessible surface: 359.886	Positive charged surface: 197.964	Negative charged surface: 156.612	Volume: 173
Hydrophobic surface: 304.042	Hydrophilic surface: 55.844

Pharmacophoric Properties
Hydrogen bond donors: 0	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.