MMsINC Database Search


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MMsINC code: MMs03072372

Type: Neutral
Formula: C₁₆H₉F₂NO₂

SMILES:

Fc1ccc(F)cc1-c1nc2c(cccc2)c(c1)C(O)=O

InChI:

InChI=1/C16H9F2NO2/c17-9-5-6-13(18)12(7-9)15-8-11(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.054 kcal/mol

Physical Properties
Molecular Weight: 285.249 g/mol	logS: -4.92796	SlogP: 3.8782	Reactive groups: 0

Topological Properties
Globularity: 0.000586601	Sterimol/B1: 2.15156	Sterimol/B2: 2.20698	Sterimol/B3: 3.72735
Sterimol/B4: 6.97586	Sterimol/L: 14.203

Surface and Volume Properties
Accessible surface: 469.321	Positive charged surface: 223.421	Negative charged surface: 234.799	Volume: 244.5
Hydrophobic surface: 362.567	Hydrophilic surface: 106.754

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03072373
PUBCHEM-ZINC03757840