MMsINC Database Search


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MMsINC code: MMs03287507

Type: Neutral
Formula: C₁₆H₁₈N₂

SMILES:

N(=C(/C)\c1ccccc1)/c1ccc(N(C)C)cc1

InChI:

InChI=1/C16H18N2/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18(2)3/h4-12H,1-3H3/b17-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3178 kcal/mol

Physical Properties
Molecular Weight: 238.334 g/mol	logS: -3.54319	SlogP: 3.8933	Reactive groups: 0

Topological Properties
Globularity: 0.126495	Sterimol/B1: 2.4774	Sterimol/B2: 3.15304	Sterimol/B3: 4.09044
Sterimol/B4: 7.12937	Sterimol/L: 13.0869

Surface and Volume Properties
Accessible surface: 481.927	Positive charged surface: 340.326	Negative charged surface: 141.601	Volume: 259.375
Hydrophobic surface: 467.683	Hydrophilic surface: 14.244

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.