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MMsINC code: MMs03063871

Type: Neutral
Formula: C₁₈H₁₈N₂

SMILES:

[nH]1c2c(CCNC2c2ccccc2C)c2c1cccc2

InChI:

InChI=1/C18H18N2/c1-12-6-2-3-7-13(12)17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.983 kcal/mol

Physical Properties
Molecular Weight: 262.356 g/mol	logS: -3.99389	SlogP: 3.80689	Reactive groups: 0

Topological Properties
Globularity: 0.175835	Sterimol/B1: 2.07925	Sterimol/B2: 3.58772	Sterimol/B3: 6.24427
Sterimol/B4: 6.92088	Sterimol/L: 13.5375

Surface and Volume Properties
Accessible surface: 492.994	Positive charged surface: 295.148	Negative charged surface: 192.278	Volume: 271.25
Hydrophobic surface: 471.401	Hydrophilic surface: 21.593

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

MMs03063872
PUBCHEM-ZINC03736381