MMsINC Database Search


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MMsINC code: MMs02706622

Type: Neutral
Formula: C₁₅H₁₈N₂

SMILES:

N(C)(C)c1ccc(NCc2ccccc2)cc1

InChI:

InChI=1/C15H18N2/c1-17(2)15-10-8-14(9-11-15)16-12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9615 kcal/mol

Physical Properties
Molecular Weight: 226.323 g/mol	logS: -2.87665	SlogP: 3.6311	Reactive groups: 0

Topological Properties
Globularity: 0.048958	Sterimol/B1: 2.72723	Sterimol/B2: 3.61647	Sterimol/B3: 3.62038
Sterimol/B4: 4.69997	Sterimol/L: 16.2901

Surface and Volume Properties
Accessible surface: 490.044	Positive charged surface: 340.195	Negative charged surface: 149.849	Volume: 252
Hydrophobic surface: 472.051	Hydrophilic surface: 17.993

Pharmacophoric Properties
Hydrogen bond donors: 1	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.