MMsINC Database Search


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MMsINC code: MMs00615342

Type: Neutral
Formula: C₁₄H₁₃FN₂O

SMILES:

Fc1ccccc1C(NC(=O)N)c1ccccc1

InChI:

InChI=1/C14H13FN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.8452 kcal/mol

Physical Properties
Molecular Weight: 244.269 g/mol	logS: -3.5411	SlogP: 2.6789	Reactive groups: 0

Topological Properties
Globularity: 0.29491	Sterimol/B1: 3.43167	Sterimol/B2: 4.29284	Sterimol/B3: 4.5784
Sterimol/B4: 6.1125	Sterimol/L: 11.3241

Surface and Volume Properties
Accessible surface: 456.604	Positive charged surface: 251.097	Negative charged surface: 205.507	Volume: 230
Hydrophobic surface: 341.732	Hydrophilic surface: 114.872

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.