MMsINC Database Search


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MMsINC code: MMs03911286

Type: Ionized
Formula: C₁₅H₉F₃NO₄-

SMILES:

FC(F)(F)Oc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1

InChI:

InChI=1/C15H10F3NO4/c16-15(17,18)23-10-7-5-9(6-8-10)19-13(20)11-3-1-2-4-12(11)14(21)22/h1-8H,(H,19,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6011 kcal/mol

Physical Properties
Molecular Weight: 324.234 g/mol	logS: -4.77405	SlogP: 2.6209	Reactive groups: 0

Topological Properties
Globularity: 0.0140757	Sterimol/B1: 2.56211	Sterimol/B2: 2.70541	Sterimol/B3: 3.31222
Sterimol/B4: 6.21013	Sterimol/L: 16.9585

Surface and Volume Properties
Accessible surface: 505.048	Positive charged surface: 194.887	Negative charged surface: 310.16	Volume: 257.375
Hydrophobic surface: 290.279	Hydrophilic surface: 214.769

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs03911285
RSCI-ZINC00104526