MMsINC Database Search


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MMsINC code: MMs02678210

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(C)(C)c1ccc(cc1)CNc1ccccc1C

InChI:

InChI=1/C16H20N2/c1-13-6-4-5-7-16(13)17-12-14-8-10-15(11-9-14)18(2)3/h4-11,17H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0104 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.03712	SlogP: 3.93952	Reactive groups: 0

Topological Properties
Globularity: 0.0763999	Sterimol/B1: 2.20043	Sterimol/B2: 3.61837	Sterimol/B3: 3.62843
Sterimol/B4: 6.29896	Sterimol/L: 16.2693

Surface and Volume Properties
Accessible surface: 515.586	Positive charged surface: 359.401	Negative charged surface: 156.184	Volume: 266
Hydrophobic surface: 506.433	Hydrophilic surface: 9.153

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.