MMsINC Database Search


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MMsINC code: MMs02317485

Type: Neutral
Formula: C₁₆H₂₄N₂

SMILES:

n1(CCCCn2c(ccc2C)C)c(ccc1C)C

InChI:

InChI=1/C16H24N2/c1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4/h7-10H,5-6,11-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.9221 kcal/mol

Physical Properties
Molecular Weight: 244.382 g/mol	logS: -1.51078	SlogP: 4.53648	Reactive groups: 0

Topological Properties
Globularity: 0.0471083	Sterimol/B1: 2.11485	Sterimol/B2: 2.75515	Sterimol/B3: 3.19406
Sterimol/B4: 7.18693	Sterimol/L: 14.6247

Surface and Volume Properties
Accessible surface: 528.167	Positive charged surface: 343.326	Negative charged surface: 184.842	Volume: 279.875
Hydrophobic surface: 509.688	Hydrophilic surface: 18.479

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