MMsINC Database Search


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MMsINC code: MMs01304308

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

O=C(n1c2c(cc1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C19H16N2O/c1-12-11-14-7-3-6-10-17(14)21(12)19(22)18-13(2)20-16-9-5-4-8-15(16)18/h3-11,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6522 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -4.64068	SlogP: 4.42794	Reactive groups: 0

Topological Properties
Globularity: 0.159516	Sterimol/B1: 2.32119	Sterimol/B2: 4.0576	Sterimol/B3: 4.20152
Sterimol/B4: 8.01582	Sterimol/L: 14.7034

Surface and Volume Properties
Accessible surface: 507.111	Positive charged surface: 271.831	Negative charged surface: 227.587	Volume: 285.375
Hydrophobic surface: 454.823	Hydrophilic surface: 52.288

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.