MMsINC Database Search


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MMsINC code: MMs03212078

Type: Neutral
Formula: C₁₆H₁₉N

SMILES:

N(c1ccccc1CC)c1ccccc1CC

InChI:

InChI=1/C16H19N/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12,17H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9058 kcal/mol

Physical Properties
Molecular Weight: 225.335 g/mol	logS: -4.35658	SlogP: 4.55494	Reactive groups: 0

Topological Properties
Globularity: 0.0854107	Sterimol/B1: 2.49016	Sterimol/B2: 2.79354	Sterimol/B3: 3.39017
Sterimol/B4: 7.65334	Sterimol/L: 12.1724

Surface and Volume Properties
Accessible surface: 466.073	Positive charged surface: 283.874	Negative charged surface: 182.199	Volume: 252
Hydrophobic surface: 424.957	Hydrophilic surface: 41.116

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.