MMsINC Database Search


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MMsINC code: MMs02315138

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1c(c2c(nc1C)cccc2)C

InChI:

InChI=1/C10H10N2/c1-7-9-5-3-4-6-10(9)12-8(2)11-7/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2803 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -2.4401	SlogP: 2.24664	Reactive groups: 0

Topological Properties
Globularity: 0.0269296	Sterimol/B1: 2.00848	Sterimol/B2: 2.51201	Sterimol/B3: 2.51359
Sterimol/B4: 7.28506	Sterimol/L: 10.934

Surface and Volume Properties
Accessible surface: 356.425	Positive charged surface: 215.462	Negative charged surface: 135.652	Volume: 166
Hydrophobic surface: 318.983	Hydrophilic surface: 37.442

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.