MMsINC Database Search


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MMsINC code: MMs00015212

Type: Neutral
Formula: C₉H₁₅N₂+

SMILES:

[N+](C)(C)(C)c1ccc(N)cc1

InChI:

InChI=1/C9H15N2/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5599 kcal/mol

Physical Properties
Molecular Weight: 151.233 g/mol	logS: -0.90279	SlogP: 1.4655	Reactive groups: 0

Topological Properties
Globularity: 0.131205	Sterimol/B1: 2.37545	Sterimol/B2: 2.92989	Sterimol/B3: 4.31709
Sterimol/B4: 4.77368	Sterimol/L: 10.5715

Surface and Volume Properties
Accessible surface: 350.57	Positive charged surface: 286.402	Negative charged surface: 64.1678	Volume: 166.125
Hydrophobic surface: 237.132	Hydrophilic surface: 113.438

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.