MMsINC Database Search


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MMsINC code: MMs00076893

Type: Neutral
Formula: C₁₉H₁₈N₂

SMILES:

n1cc(N(c2ccc(cc2)C)c2ccc(cc2)C)ccc1

InChI:

InChI=1/C19H18N2/c1-15-5-9-17(10-6-15)21(19-4-3-13-20-14-19)18-11-7-16(2)8-12-18/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.878 kcal/mol

Physical Properties
Molecular Weight: 274.367 g/mol	logS: -4.64971	SlogP: 5.16824	Reactive groups: 0

Topological Properties
Globularity: 0.124168	Sterimol/B1: 2.33757	Sterimol/B2: 3.45198	Sterimol/B3: 3.63736
Sterimol/B4: 9.7705	Sterimol/L: 14.2987

Surface and Volume Properties
Accessible surface: 533.256	Positive charged surface: 340.467	Negative charged surface: 192.789	Volume: 292.5
Hydrophobic surface: 516.868	Hydrophilic surface: 16.388

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.