MMsINC Database Search


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MMsINC code: MMs02760541

Type: Neutral
Formula: C₁₇H₁₀F₃NO₄

SMILES:

FC(F)(F)Oc1ccc(NC(=O)\C=C/2\OC(=O)c3c\2cccc3)cc1

InChI:

InChI=1/C17H10F3NO4/c18-17(19,20)25-11-7-5-10(6-8-11)21-15(22)9-14-12-3-1-2-4-13(12)16(23)24-14/h1-9H,(H,21,22)/b14-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.297 kcal/mol

Physical Properties
Molecular Weight: 349.264 g/mol	logS: -5.96635	SlogP: 4.1551	Reactive groups: 0

Topological Properties
Globularity: 0.0128567	Sterimol/B1: 2.41994	Sterimol/B2: 2.829	Sterimol/B3: 3.29733
Sterimol/B4: 6.41071	Sterimol/L: 19.1018

Surface and Volume Properties
Accessible surface: 557.29	Positive charged surface: 242.17	Negative charged surface: 315.121	Volume: 281.875
Hydrophobic surface: 332.6	Hydrophilic surface: 224.69

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.