MMsINC Database Search


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MMsINC code: MMs01252121

Type: Neutral
Formula: C₈H₈F₂N₂O₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NN

InChI:

InChI=1/C8H8F2N2O2/c9-8(10)14-6-3-1-5(2-4-6)7(13)12-11/h1-4,8H,11H2,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8724 kcal/mol

Physical Properties
Molecular Weight: 202.16 g/mol	logS: -1.75118	SlogP: 1.3114	Reactive groups: 0

Topological Properties
Globularity: 0.0169006	Sterimol/B1: 2.42957	Sterimol/B2: 2.57156	Sterimol/B3: 2.70412
Sterimol/B4: 4.84416	Sterimol/L: 12.8697

Surface and Volume Properties
Accessible surface: 366.875	Positive charged surface: 188.716	Negative charged surface: 178.159	Volume: 162.75
Hydrophobic surface: 152.72	Hydrophilic surface: 214.155

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.