MMsINC Database Search


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MMsINC code: MMs02842933

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(N)C(C(C)c1ccccc1)C

InChI:

InChI=1/C10H16N2/c1-8(9(2)12-11)10-6-4-3-5-7-10/h3-9,12H,11H2,1-2H3/t8-,9+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.746 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -1.62018	SlogP: 1.6419	Reactive groups: 0

Topological Properties
Globularity: 0.231994	Sterimol/B1: 1.99729	Sterimol/B2: 2.91596	Sterimol/B3: 3.90689
Sterimol/B4: 5.54117	Sterimol/L: 11.7122

Surface and Volume Properties
Accessible surface: 378.932	Positive charged surface: 252.698	Negative charged surface: 126.235	Volume: 185.125
Hydrophobic surface: 260.397	Hydrophilic surface: 118.535

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

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.