MMsINC Database Search


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MMsINC code: MMs02656692

Type: Neutral
Formula: C₁₀H₁₁N₂+

SMILES:

[n+]1(c2c(cccc2)c(N)cc1)C

InChI:

InChI=1/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0255 kcal/mol

Physical Properties
Molecular Weight: 159.212 g/mol	logS: -1.56392	SlogP: 1.6057	Reactive groups: 0

Topological Properties
Globularity: 0.0163821	Sterimol/B1: 2.10443	Sterimol/B2: 2.51324	Sterimol/B3: 4.45752
Sterimol/B4: 5.54264	Sterimol/L: 9.48097

Surface and Volume Properties
Accessible surface: 347.583	Positive charged surface: 245.67	Negative charged surface: 96.6032	Volume: 165.625
Hydrophobic surface: 248.354	Hydrophilic surface: 99.229

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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.