MMsINC Database Search


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MMsINC code: MMs00536744

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

N(CCNc1c(cccc1C)C)c1c(cccc1C)C

InChI:

InChI=1/C18H24N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h5-10,19-20H,11-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.752 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -3.41402	SlogP: 4.44428	Reactive groups: 0

Topological Properties
Globularity: 0.0434205	Sterimol/B1: 2.29035	Sterimol/B2: 3.25885	Sterimol/B3: 3.26704
Sterimol/B4: 7.2006	Sterimol/L: 16.1753

Surface and Volume Properties
Accessible surface: 544.1	Positive charged surface: 339.05	Negative charged surface: 205.05	Volume: 297.125
Hydrophobic surface: 516.07	Hydrophilic surface: 28.03

Pharmacophoric Properties
Hydrogen bond donors: 2	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.