MMsINC Database Search


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MMsINC code: MMs02203245

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2cc(ccc2)C)c2c1cccc2

InChI:

InChI=1/C20H16N2/c1-14-7-6-8-15(13-14)21-20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9258 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.91434	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.118447	Sterimol/B1: 2.99764	Sterimol/B2: 4.93974	Sterimol/B3: 5.91076
Sterimol/B4: 6.23785	Sterimol/L: 13.627

Surface and Volume Properties
Accessible surface: 525.799	Positive charged surface: 301.57	Negative charged surface: 218.638	Volume: 290
Hydrophobic surface: 484.911	Hydrophilic surface: 40.888

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.