MMsINC Database Search


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MMsINC code: MMs02342402

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(NC(C)c1ccccc1)C(C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7503 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.06342	SlogP: 3.794	Reactive groups: 1

Topological Properties
Globularity: 0.184789	Sterimol/B1: 2.80616	Sterimol/B2: 3.08557	Sterimol/B3: 4.5063
Sterimol/B4: 7.40245	Sterimol/L: 12.1141

Surface and Volume Properties
Accessible surface: 493.945	Positive charged surface: 303.074	Negative charged surface: 190.871	Volume: 266.875
Hydrophobic surface: 442.157	Hydrophilic surface: 51.788

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

MMs02342403
NCID-ZINC01716829