MMsINC Database Search


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MMsINC code: MMs02521161

Type: Neutral
Formula: C₁₅H₂₅N₂+

SMILES:

[NH+]1(CCCCCC1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C15H24N2/c1-16(2)15-9-7-14(8-10-15)13-17-11-5-3-4-6-12-17/h7-10H,3-6,11-13H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6839 kcal/mol

Physical Properties
Molecular Weight: 233.379 g/mol	logS: -2.11527	SlogP: 1.9779	Reactive groups: 0

Topological Properties
Globularity: 0.084728	Sterimol/B1: 2.40334	Sterimol/B2: 2.99419	Sterimol/B3: 4.10614
Sterimol/B4: 5.30114	Sterimol/L: 15.218

Surface and Volume Properties
Accessible surface: 498.02	Positive charged surface: 420.946	Negative charged surface: 77.0736	Volume: 267.625
Hydrophobic surface: 474.79	Hydrophilic surface: 23.23

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

MMs02521162
NIH-ZINC00294150