MMsINC Database Search


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

MMsINC code: MMs00069298

Type: Neutral
Formula: C₁₀H₁₀FNO₃

SMILES:

Fc1cc(NC(=O)CCC(O)=O)ccc1

InChI:

InChI=1/C10H10FNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-3,6H,4-5H2,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.4442 kcal/mol

Physical Properties
Molecular Weight: 211.192 g/mol	logS: -1.64163	SlogP: 1.629	Reactive groups: 0

Topological Properties
Globularity: 0.0221122	Sterimol/B1: 2.53841	Sterimol/B2: 2.55871	Sterimol/B3: 3.04903
Sterimol/B4: 5.23927	Sterimol/L: 14.4617

Surface and Volume Properties
Accessible surface: 414.4	Positive charged surface: 236.035	Negative charged surface: 178.365	Volume: 184.25
Hydrophobic surface: 273.58	Hydrophilic surface: 140.82

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs00069299
ASINEX-ZINC00072325