MMsINC Database Search


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MMsINC code: MMs01249118

Type: Neutral
Formula: C₁₅H₃₀N+

SMILES:

[NH2+](CC(CC=C(C)C)(C)C)C1CCCCC1

InChI:

InChI=1/C15H29N/c1-13(2)10-11-15(3,4)12-16-14-8-6-5-7-9-14/h10,14,16H,5-9,11-12H2,1-4H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9391 kcal/mol

Physical Properties
Molecular Weight: 224.412 g/mol	logS: -3.07539	SlogP: 3.265	Reactive groups: 0

Topological Properties
Globularity: 0.0842987	Sterimol/B1: 2.30175	Sterimol/B2: 2.42598	Sterimol/B3: 4.91749
Sterimol/B4: 5.08987	Sterimol/L: 16.3131

Surface and Volume Properties
Accessible surface: 520.018	Positive charged surface: 408.585	Negative charged surface: 111.433	Volume: 277.75
Hydrophobic surface: 471.681	Hydrophilic surface: 48.337

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

MMs01249119
ENAMINE-ZINC02273373