MMsINC Database Search


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MMsINC code: MMs00599186

Type: Neutral
Formula: C₁₀H₁₅N₂+

SMILES:

[N+]=1(CCn2c(ccc2C)C=1C)C

InChI:

InChI=1/C10H15N2/c1-8-4-5-10-9(2)11(3)6-7-12(8)10/h4-5H,6-7H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2628 kcal/mol

Physical Properties
Molecular Weight: 163.244 g/mol	logS: -0.61392	SlogP: 1.52782	Reactive groups: 0

Topological Properties
Globularity: 0.059705	Sterimol/B1: 2.76456	Sterimol/B2: 3.04121	Sterimol/B3: 3.5687
Sterimol/B4: 5.03085	Sterimol/L: 10.9471

Surface and Volume Properties
Accessible surface: 374.684	Positive charged surface: 282.934	Negative charged surface: 91.75	Volume: 179.875
Hydrophobic surface: 356.863	Hydrophilic surface: 17.821

Pharmacophoric Properties
Hydrogen bond donors: 0	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.