MMsINC Database Search


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MMsINC code: MMs02310854

Type: Neutral
Formula: C₂₀H₁₉N

SMILES:

n1cc(ccc1)C(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H19N/c1-3-8-17(9-4-1)14-20(19-12-7-13-21-16-19)15-18-10-5-2-6-11-18/h1-13,16,20H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4258 kcal/mol

Physical Properties
Molecular Weight: 273.379 g/mol	logS: -4.32197	SlogP: 4.65054	Reactive groups: 0

Topological Properties
Globularity: 0.169722	Sterimol/B1: 2.70098	Sterimol/B2: 3.91147	Sterimol/B3: 4.84275
Sterimol/B4: 6.38532	Sterimol/L: 14.185

Surface and Volume Properties
Accessible surface: 514.906	Positive charged surface: 324.408	Negative charged surface: 190.498	Volume: 293.875
Hydrophobic surface: 499.558	Hydrophilic surface: 15.348

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.