MMsINC Database Search


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MMsINC code: MMs00233191

Type: Neutral
Formula: C₁₉H₁₅N

SMILES:

n1(c2c(c3c1cccc3)cccc2)Cc1ccccc1

InChI:

InChI=1/C19H15N/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7342 kcal/mol

Physical Properties
Molecular Weight: 257.336 g/mol	logS: -5.18337	SlogP: 5.1092	Reactive groups: 0

Topological Properties
Globularity: 0.134456	Sterimol/B1: 2.20225	Sterimol/B2: 4.9375	Sterimol/B3: 5.95453
Sterimol/B4: 5.97776	Sterimol/L: 11.9205

Surface and Volume Properties
Accessible surface: 483.641	Positive charged surface: 250.261	Negative charged surface: 221.965	Volume: 269.875
Hydrophobic surface: 473.965	Hydrophilic surface: 9.676

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.