MMsINC Database Search


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MMsINC code: MMs02313186

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(N)(C(Cc1ccccc1)C)C

InChI:

InChI=1/C10H16N2/c1-9(12(2)11)8-10-6-4-3-5-7-10/h3-7,9H,8,11H2,1-2H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5683 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -1.49399	SlogP: 1.42307	Reactive groups: 0

Topological Properties
Globularity: 0.115088	Sterimol/B1: 2.24433	Sterimol/B2: 2.43201	Sterimol/B3: 4.04184
Sterimol/B4: 5.2839	Sterimol/L: 11.9137

Surface and Volume Properties
Accessible surface: 379.007	Positive charged surface: 263.058	Negative charged surface: 115.949	Volume: 185.625
Hydrophobic surface: 306.846	Hydrophilic surface: 72.161

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02313187
NCID-ZINC01678402