MMsINC Database Search


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MMsINC code: MMs02067674

Type: Neutral
Formula: C₁₉H₁₄F₂N₂O₂

SMILES:

Fc1cc(NC(=O)C2=CC=CN(Cc3ccccc3)C2=O)ccc1F

InChI:

InChI=1/C19H14F2N2O2/c20-16-9-8-14(11-17(16)21)22-18(24)15-7-4-10-23(19(15)25)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3836 kcal/mol

Physical Properties
Molecular Weight: 340.329 g/mol	logS: -4.94823	SlogP: 3.6522	Reactive groups: 0

Topological Properties
Globularity: 0.0472352	Sterimol/B1: 2.14233	Sterimol/B2: 2.84225	Sterimol/B3: 4.82125
Sterimol/B4: 7.89734	Sterimol/L: 16.7302

Surface and Volume Properties
Accessible surface: 563.264	Positive charged surface: 289.29	Negative charged surface: 273.974	Volume: 304.125
Hydrophobic surface: 503.057	Hydrophilic surface: 60.207

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.