MMsINC Database Search


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MMsINC code: MMs01063422

Type: Neutral
Formula: C₁₇H₁₂FNO₃

SMILES:

Fc1ccc(cc1)C(=O)c1[nH]c2c(cccc2)c1C(OC)=O

InChI:

InChI=1/C17H12FNO3/c1-22-17(21)14-12-4-2-3-5-13(12)19-15(14)16(20)10-6-8-11(18)9-7-10/h2-9,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5255 kcal/mol

Physical Properties
Molecular Weight: 297.285 g/mol	logS: -4.57722	SlogP: 3.3246	Reactive groups: 0

Topological Properties
Globularity: 0.0274169	Sterimol/B1: 2.03397	Sterimol/B2: 2.40291	Sterimol/B3: 3.59136
Sterimol/B4: 9.79668	Sterimol/L: 14.323

Surface and Volume Properties
Accessible surface: 517.42	Positive charged surface: 272.455	Negative charged surface: 239.191	Volume: 267.5
Hydrophobic surface: 443.011	Hydrophilic surface: 74.409

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.