MMsINC Database Search


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MMsINC code: MMs03432684

Type: Neutral
Formula: C₁₉H₁₆N₂

SMILES:

n1c2c(n(C)c1Cc1ccccc1)cc1c(c2)cccc1

InChI:

InChI=1/C19H16N2/c1-21-18-13-16-10-6-5-9-15(16)12-17(18)20-19(21)11-14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0934 kcal/mol

Physical Properties
Molecular Weight: 272.351 g/mol	logS: -5.21122	SlogP: 4.67647	Reactive groups: 0

Topological Properties
Globularity: 0.0880731	Sterimol/B1: 2.19176	Sterimol/B2: 3.42046	Sterimol/B3: 4.49786
Sterimol/B4: 6.79178	Sterimol/L: 15.0793

Surface and Volume Properties
Accessible surface: 515.829	Positive charged surface: 303.816	Negative charged surface: 200.384	Volume: 283.375
Hydrophobic surface: 495.746	Hydrophilic surface: 20.083

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.