MMsINC Database Search


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MMsINC code: MMs00189448

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCC)ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7018 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -4.90824	SlogP: 3.6292	Reactive groups: 0

Topological Properties
Globularity: 0.0199035	Sterimol/B1: 2.28507	Sterimol/B2: 2.4238	Sterimol/B3: 3.06108
Sterimol/B4: 9.08722	Sterimol/L: 16.4691

Surface and Volume Properties
Accessible surface: 576.999	Positive charged surface: 315.195	Negative charged surface: 261.804	Volume: 312.625
Hydrophobic surface: 466.275	Hydrophilic surface: 110.724

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.