MMsINC Database Search


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MMsINC code: MMs02848791

Type: Neutral
Formula: C₉H₁₄N₂

SMILES:

N(N)CCc1cc(ccc1)C

InChI:

InChI=1/C9H14N2/c1-8-3-2-4-9(7-8)5-6-11-10/h2-4,7,11H,5-6,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0676 kcal/mol

Physical Properties
Molecular Weight: 150.225 g/mol	logS: -1.56512	SlogP: 1.00079	Reactive groups: 0

Topological Properties
Globularity: 0.077772	Sterimol/B1: 2.38036	Sterimol/B2: 2.65141	Sterimol/B3: 3.36498
Sterimol/B4: 5.99467	Sterimol/L: 12.1526

Surface and Volume Properties
Accessible surface: 380.496	Positive charged surface: 258.531	Negative charged surface: 121.965	Volume: 170.25
Hydrophobic surface: 279.956	Hydrophilic surface: 100.54

Pharmacophoric Properties
Hydrogen bond donors: 2	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.