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MMsINC code: MMs00812454

Type: Neutral
Formula: C₁₄H₂₄N₂

SMILES:

N(Cc1ccc(cc1C)C)(CCN(C)C)C

InChI:

InChI=1/C14H24N2/c1-12-6-7-14(13(2)10-12)11-16(5)9-8-15(3)4/h6-7,10H,8-9,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0116 kcal/mol

Physical Properties
Molecular Weight: 220.36 g/mol	logS: -2.10206	SlogP: 2.56324	Reactive groups: 0

Topological Properties
Globularity: 0.0776175	Sterimol/B1: 2.55314	Sterimol/B2: 4.11127	Sterimol/B3: 4.27108
Sterimol/B4: 4.40251	Sterimol/L: 15.6247

Surface and Volume Properties
Accessible surface: 493.883	Positive charged surface: 397.574	Negative charged surface: 96.3087	Volume: 255.5
Hydrophobic surface: 484.111	Hydrophilic surface: 9.772

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

MMs00812456
CHEMBRIDGE-ZINC04947616