MMsINC Database Search


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MMsINC code: MMs01378099

Type: Neutral
Formula: C₁₀H₁₆N+

SMILES:

[NH3+]C(CCC)c1ccccc1

InChI:

InChI=1/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3/p+1/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.9026 kcal/mol

Physical Properties
Molecular Weight: 150.245 g/mol	logS: -2.06961	SlogP: 1.8652	Reactive groups: 0

Topological Properties
Globularity: 0.146487	Sterimol/B1: 2.52234	Sterimol/B2: 2.7945	Sterimol/B3: 4.03451
Sterimol/B4: 4.28475	Sterimol/L: 12.5841

Surface and Volume Properties
Accessible surface: 379.35	Positive charged surface: 270.306	Negative charged surface: 109.044	Volume: 178.75
Hydrophobic surface: 302.829	Hydrophilic surface: 76.521

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

MMs01378100
ENAMINE-ZINC03333288