MMsINC Database Search


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

MMsINC code: MMs00738537

Type: Neutral
Formula: C₁₀H₁₁FN₂O₃

SMILES:

Fc1ccc(NC(=O)C(=O)NCCO)cc1

InChI:

InChI=1/C10H11FN2O3/c11-7-1-3-8(4-2-7)13-10(16)9(15)12-5-6-14/h1-4,14H,5-6H2,(H,12,15)(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5053 kcal/mol

Physical Properties
Molecular Weight: 226.207 g/mol	logS: -1.85198	SlogP: -0.1273	Reactive groups: 0

Topological Properties
Globularity: 0.0294362	Sterimol/B1: 2.3625	Sterimol/B2: 3.07214	Sterimol/B3: 3.62626
Sterimol/B4: 4.60206	Sterimol/L: 14.9311

Surface and Volume Properties
Accessible surface: 435.597	Positive charged surface: 270.281	Negative charged surface: 165.316	Volume: 197.375
Hydrophobic surface: 290.448	Hydrophilic surface: 145.149

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: no related molecules available.