MMsINC Database Search


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MMsINC code: MMs03303826

Type: Neutral
Formula: C₁₆H₂₄N₂

SMILES:

n1c2c(n(CCCC)c1CCCCC)cccc2

InChI:

InChI=1/C16H24N2/c1-3-5-7-12-16-17-14-10-8-9-11-15(14)18(16)13-6-4-2/h8-11H,3-7,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6852 kcal/mol

Physical Properties
Molecular Weight: 244.382 g/mol	logS: -4.48251	SlogP: 4.83547	Reactive groups: 0

Topological Properties
Globularity: 0.0856392	Sterimol/B1: 2.70046	Sterimol/B2: 3.78889	Sterimol/B3: 4.033
Sterimol/B4: 7.57297	Sterimol/L: 15.0142

Surface and Volume Properties
Accessible surface: 526.664	Positive charged surface: 372.012	Negative charged surface: 154.653	Volume: 276.125
Hydrophobic surface: 457.032	Hydrophilic surface: 69.632

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.