MMsINC Database Search


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MMsINC code: MMs01505968

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₃

SMILES:

FC(F)Oc1cc(ccc1)C(=O)NNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C16H14F2N2O3/c1-10-5-7-11(8-6-10)14(21)19-20-15(22)12-3-2-4-13(9-12)23-16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6452 kcal/mol

Physical Properties
Molecular Weight: 320.295 g/mol	logS: -4.19157	SlogP: 3.09112	Reactive groups: 0

Topological Properties
Globularity: 0.00441871	Sterimol/B1: 2.63666	Sterimol/B2: 2.63964	Sterimol/B3: 3.04465
Sterimol/B4: 4.96703	Sterimol/L: 19.1842

Surface and Volume Properties
Accessible surface: 555.219	Positive charged surface: 270.969	Negative charged surface: 284.25	Volume: 281.25
Hydrophobic surface: 371.802	Hydrophilic surface: 183.417

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.