MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01696436

Type: Neutral
Formula: C₂₀H₁₅F₂NO₃

SMILES:

FC(F)Oc1ccccc1NC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C20H15F2NO3/c21-20(22)26-18-13-7-5-11-16(18)23-19(24)15-10-4-6-12-17(15)25-14-8-2-1-3-9-14/h1-13,20H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.057 kcal/mol

Physical Properties
Molecular Weight: 355.34 g/mol	logS: -5.27183	SlogP: 5.7525	Reactive groups: 0

Topological Properties
Globularity: 0.0482658	Sterimol/B1: 3.5279	Sterimol/B2: 3.58258	Sterimol/B3: 3.72377
Sterimol/B4: 7.46902	Sterimol/L: 16.8735

Surface and Volume Properties
Accessible surface: 590.746	Positive charged surface: 313.169	Negative charged surface: 277.577	Volume: 318.75
Hydrophobic surface: 478.296	Hydrophilic surface: 112.45

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.