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MMsINC code: MMs00927612

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)Cc1c2c(n(CC)c1C(O)=O)cccc2

InChI:

InChI=1/C19H16F2N2O3/c1-2-23-16-6-4-3-5-12(16)13(18(23)19(25)26)10-17(24)22-15-8-7-11(20)9-14(15)21/h3-9H,2,10H2,1H3,(H,22,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5323 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -4.63974	SlogP: 4.08517	Reactive groups: 0

Topological Properties
Globularity: 0.103871	Sterimol/B1: 3.69959	Sterimol/B2: 4.06967	Sterimol/B3: 4.27114
Sterimol/B4: 7.59722	Sterimol/L: 15.8497

Surface and Volume Properties
Accessible surface: 580.915	Positive charged surface: 325.37	Negative charged surface: 252.357	Volume: 317.5
Hydrophobic surface: 455.288	Hydrophilic surface: 125.627

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00927613
CHEMDIV-ZINC04116140