MMsINC Database Search


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

MMsINC code: MMs02658623

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)C(O)NC(=O)c1cccnc1

InChI:

InChI=1/C14H11FN2O3/c15-11-5-3-9(4-6-11)12(18)14(20)17-13(19)10-2-1-7-16-8-10/h1-8,14,20H,(H,17,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6847 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -2.34529	SlogP: 1.1518	Reactive groups: 0

Topological Properties
Globularity: 0.0233427	Sterimol/B1: 2.25709	Sterimol/B2: 3.2432	Sterimol/B3: 3.60673
Sterimol/B4: 4.21907	Sterimol/L: 16.6871

Surface and Volume Properties
Accessible surface: 482.047	Positive charged surface: 268.935	Negative charged surface: 213.112	Volume: 241
Hydrophobic surface: 357.771	Hydrophilic surface: 124.276

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.