MMsINC Database Search


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MMsINC code: MMs03235050

Type: Neutral
Formula: C₁₄H₂₄N₂

SMILES:

N(CCCC)c1ccc(NCCCC)cc1

InChI:

InChI=1/C14H24N2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.3342 kcal/mol

Physical Properties
Molecular Weight: 220.36 g/mol	logS: -3.0662	SlogP: 4.1106	Reactive groups: 0

Topological Properties
Globularity: 0.013712	Sterimol/B1: 2.37561	Sterimol/B2: 2.37676	Sterimol/B3: 2.42942
Sterimol/B4: 5.65732	Sterimol/L: 18.6415

Surface and Volume Properties
Accessible surface: 527.021	Positive charged surface: 395.542	Negative charged surface: 131.478	Volume: 257.875
Hydrophobic surface: 441.016	Hydrophilic surface: 86.005

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.