MMsINC Database Search


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MMsINC code: MMs02315142

Type: Neutral
Formula: C₉H₁₅N₂+

SMILES:

[NH3+]CC(C)c1ccccc1N

InChI:

InChI=1/C9H14N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,6,10-11H2,1H3/p+1/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4054 kcal/mol

Physical Properties
Molecular Weight: 151.233 g/mol	logS: -1.00953	SlogP: 0.6142	Reactive groups: 0

Topological Properties
Globularity: 0.148704	Sterimol/B1: 2.36215	Sterimol/B2: 2.66424	Sterimol/B3: 4.23157
Sterimol/B4: 5.64237	Sterimol/L: 10.8959

Surface and Volume Properties
Accessible surface: 362.528	Positive charged surface: 271.066	Negative charged surface: 91.4616	Volume: 170.5
Hydrophobic surface: 225.377	Hydrophilic surface: 137.151

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02315143
NCID-ZINC01681143