MMsINC Database Search


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MMsINC code: MMs00094663

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

n1c2cc(ccc2cc(C)c1Nc1ccc(cc1C)C)C

InChI:

InChI=1/C19H20N2/c1-12-6-8-17(14(3)9-12)20-19-15(4)11-16-7-5-13(2)10-18(16)21-19/h5-11H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1792 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -5.17378	SlogP: 5.21208	Reactive groups: 0

Topological Properties
Globularity: 0.0406708	Sterimol/B1: 2.4202	Sterimol/B2: 2.65991	Sterimol/B3: 3.57654
Sterimol/B4: 8.76536	Sterimol/L: 14.4864

Surface and Volume Properties
Accessible surface: 540.126	Positive charged surface: 329.347	Negative charged surface: 205.942	Volume: 292.75
Hydrophobic surface: 522.09	Hydrophilic surface: 18.036

Pharmacophoric Properties
Hydrogen bond donors: 1	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.