MMsINC Database Search


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MMsINC code: MMs01638991

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₄

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(Cc2ccc(cc2)C(OC)=O)C1=O)C

InChI:

InChI=1/C19H16F2N2O4/c1-19(14-9-13(20)7-8-15(14)21)17(25)23(18(26)22-19)10-11-3-5-12(6-4-11)16(24)27-2/h3-9H,10H2,1-2H3,(H,22,26)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4831 kcal/mol

Physical Properties
Molecular Weight: 374.343 g/mol	logS: -4.86919	SlogP: 3.2965	Reactive groups: 0

Topological Properties
Globularity: 0.139422	Sterimol/B1: 3.22105	Sterimol/B2: 4.28235	Sterimol/B3: 4.8253
Sterimol/B4: 7.13202	Sterimol/L: 15.376

Surface and Volume Properties
Accessible surface: 590.681	Positive charged surface: 347.695	Negative charged surface: 242.986	Volume: 323.25
Hydrophobic surface: 452.376	Hydrophilic surface: 138.305

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.