MMsINC Database Search


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MMsINC code: MMs02282160

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

n1ccccc1C(CCCC)CCCC

InChI:

InChI=1/C14H23N/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15-14/h7-8,11-13H,3-6,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.7448 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -3.93499	SlogP: 4.5456	Reactive groups: 0

Topological Properties
Globularity: 0.0994406	Sterimol/B1: 3.03586	Sterimol/B2: 3.05508	Sterimol/B3: 3.75778
Sterimol/B4: 6.96991	Sterimol/L: 14.7283

Surface and Volume Properties
Accessible surface: 482.587	Positive charged surface: 364.447	Negative charged surface: 118.139	Volume: 243.75
Hydrophobic surface: 429.326	Hydrophilic surface: 53.261

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.