MMsINC Database Search


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MMsINC code: MMs00488363

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1cccnc1

InChI:

InChI=1/C19H16N2O/c22-19(17-12-7-13-20-14-17)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4151 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -3.80867	SlogP: 3.6965	Reactive groups: 0

Topological Properties
Globularity: 0.176512	Sterimol/B1: 2.25486	Sterimol/B2: 3.99714	Sterimol/B3: 4.03312
Sterimol/B4: 9.1794	Sterimol/L: 13.7689

Surface and Volume Properties
Accessible surface: 539.961	Positive charged surface: 307.131	Negative charged surface: 232.83	Volume: 292.75
Hydrophobic surface: 491.926	Hydrophilic surface: 48.035

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.