MMsINC Database Search


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MMsINC code: MMs00264498

Type: Neutral
Formula: C₁₄H₁₉N₂+

SMILES:

[NH2+](Cc1n(ccc1)C)CCc1ccccc1

InChI:

InChI=1/C14H18N2/c1-16-11-5-8-14(16)12-15-10-9-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.1695 kcal/mol

Physical Properties
Molecular Weight: 215.32 g/mol	logS: -1.42051	SlogP: 1.95677	Reactive groups: 0

Topological Properties
Globularity: 0.040461	Sterimol/B1: 2.0588	Sterimol/B2: 2.87524	Sterimol/B3: 3.43526
Sterimol/B4: 6.10973	Sterimol/L: 15.6804

Surface and Volume Properties
Accessible surface: 485.581	Positive charged surface: 330.787	Negative charged surface: 154.794	Volume: 244.375
Hydrophobic surface: 431.438	Hydrophilic surface: 54.143

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

MMs00264499
ASINEX-ZINC02178156