MMsINC Database Search


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MMsINC code: MMs00287415

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(CCNc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C16H20N2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9652 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.71998	SlogP: 3.82744	Reactive groups: 0

Topological Properties
Globularity: 0.0072243	Sterimol/B1: 2.37888	Sterimol/B2: 2.5123	Sterimol/B3: 3.6353
Sterimol/B4: 4.44271	Sterimol/L: 18.5204

Surface and Volume Properties
Accessible surface: 534.649	Positive charged surface: 338.834	Negative charged surface: 195.815	Volume: 266.875
Hydrophobic surface: 494.632	Hydrophilic surface: 40.017

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.