MMsINC Database Search


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MMsINC code: MMs02948972

Type: Neutral
Formula: C₁₂H₁₀F₇NO

SMILES:

Fc1ccc(cc1)CNC(=O)C(C(F)(F)F)(C(F)(F)F)C

InChI:

InChI=1/C12H10F7NO/c1-10(11(14,15)16,12(17,18)19)9(21)20-6-7-2-4-8(13)5-3-7/h2-5H,6H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.55122 kcal/mol

Physical Properties
Molecular Weight: 317.204 g/mol	logS: -3.95022	SlogP: 4.679	Reactive groups: 1

Topological Properties
Globularity: 0.129232	Sterimol/B1: 2.38124	Sterimol/B2: 2.39921	Sterimol/B3: 4.82638
Sterimol/B4: 5.12747	Sterimol/L: 13.8013

Surface and Volume Properties
Accessible surface: 463.844	Positive charged surface: 172.907	Negative charged surface: 290.937	Volume: 231.5
Hydrophobic surface: 260.451	Hydrophilic surface: 203.393

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