MMsINC Database Search


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MMsINC code: MMs00048815

Type: Neutral
Formula: C₇H₇FN₂O

SMILES:

Fc1cc(ccc1)C(=O)NN

InChI:

InChI=1/C7H7FN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2542 kcal/mol

Physical Properties
Molecular Weight: 154.144 g/mol	logS: -1.91191	SlogP: 0.4292	Reactive groups: 0

Topological Properties
Globularity: 0.00452895	Sterimol/B1: 2.12908	Sterimol/B2: 2.16395	Sterimol/B3: 2.8489
Sterimol/B4: 5.12486	Sterimol/L: 10.9345

Surface and Volume Properties
Accessible surface: 322.592	Positive charged surface: 167.107	Negative charged surface: 155.485	Volume: 136.25
Hydrophobic surface: 194.937	Hydrophilic surface: 127.655

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.