MMsINC Database Search


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MMsINC code: MMs03754636

Type: Neutral
Formula: C₁₅H₂₂N₂

SMILES:

N1(CCCC1)C(N1CCCC1)c1ccccc1

InChI:

InChI=1/C15H22N2/c1-2-8-14(9-3-1)15(16-10-4-5-11-16)17-12-6-7-13-17/h1-3,8-9,15H,4-7,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7411 kcal/mol

Physical Properties
Molecular Weight: 230.355 g/mol	logS: -2.13971	SlogP: 2.9723	Reactive groups: 0

Topological Properties
Globularity: 0.182073	Sterimol/B1: 3.09205	Sterimol/B2: 3.48905	Sterimol/B3: 3.75227
Sterimol/B4: 7.45211	Sterimol/L: 12.0802

Surface and Volume Properties
Accessible surface: 457.008	Positive charged surface: 338.896	Negative charged surface: 118.112	Volume: 249
Hydrophobic surface: 453.243	Hydrophilic surface: 3.765

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
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: no related molecules available.