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MMsINC code: MMs00711718

Type: Neutral
Formula: C₁₄H₂₄N₂

SMILES:

N(CC(C)c1ccccc1)(CCN(C)C)C

InChI:

InChI=1/C14H24N2/c1-13(14-8-6-5-7-9-14)12-16(4)11-10-15(2)3/h5-9,13H,10-12H2,1-4H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3298 kcal/mol

Physical Properties
Molecular Weight: 220.36 g/mol	logS: -1.41746	SlogP: 2.2835	Reactive groups: 0

Topological Properties
Globularity: 0.150611	Sterimol/B1: 2.52451	Sterimol/B2: 3.15605	Sterimol/B3: 4.23747
Sterimol/B4: 7.49894	Sterimol/L: 12.383

Surface and Volume Properties
Accessible surface: 490.823	Positive charged surface: 396.157	Negative charged surface: 94.6663	Volume: 256.375
Hydrophobic surface: 467.105	Hydrophilic surface: 23.718

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
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

MMs00711720
CHEMBRIDGE-ZINC02498289