MMsINC Database Search


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MMsINC code: MMs02255131

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(C(C(Nc1ccccc1)C)C)c1ccccc1

InChI:

InChI=1/C16H20N2/c1-13(17-15-9-5-3-6-10-15)14(2)18-16-11-7-4-8-12-16/h3-14,17-18H,1-2H3/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0188 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.42656	SlogP: 3.9876	Reactive groups: 0

Topological Properties
Globularity: 0.0932998	Sterimol/B1: 2.3962	Sterimol/B2: 2.44491	Sterimol/B3: 4.79773
Sterimol/B4: 5.00349	Sterimol/L: 15.989

Surface and Volume Properties
Accessible surface: 503.015	Positive charged surface: 294.399	Negative charged surface: 208.616	Volume: 264.125
Hydrophobic surface: 451.26	Hydrophilic surface: 51.755

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.