MMsINC Database Search


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MMsINC code: MMs02827645

Type: Neutral
Formula: C₁₄H₁₆N₂

SMILES:

N(N)CCc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C14H16N2/c15-16-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4292 kcal/mol

Physical Properties
Molecular Weight: 212.296 g/mol	logS: -3.51758	SlogP: 2.35937	Reactive groups: 0

Topological Properties
Globularity: 0.0400431	Sterimol/B1: 2.87081	Sterimol/B2: 3.55303	Sterimol/B3: 3.61235
Sterimol/B4: 3.79511	Sterimol/L: 16.1934

Surface and Volume Properties
Accessible surface: 465.114	Positive charged surface: 270.533	Negative charged surface: 183.51	Volume: 228.125
Hydrophobic surface: 364.361	Hydrophilic surface: 100.753

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.