MMsINC Database Search


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MMsINC code: MMs01257836

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

Fc1cc(ccc1F)C(=O)CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C18H14F2N2O3/c1-18(12-5-3-2-4-6-12)16(24)22(17(25)21-18)10-15(23)11-7-8-13(19)14(20)9-11/h2-9H,10H2,1H3,(H,21,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0859 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.81881	SlogP: 2.9262	Reactive groups: 0

Topological Properties
Globularity: 0.0699009	Sterimol/B1: 2.13301	Sterimol/B2: 2.50258	Sterimol/B3: 5.39669
Sterimol/B4: 6.34569	Sterimol/L: 17.1106

Surface and Volume Properties
Accessible surface: 550.638	Positive charged surface: 263.087	Negative charged surface: 287.551	Volume: 297.125
Hydrophobic surface: 426.562	Hydrophilic surface: 124.076

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.