MMsINC Database Search


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

MMsINC code: MMs00605356

Type: Neutral
Formula: C₁₇H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C17H14FNO4/c1-11(20)19-15-8-4-13(5-9-15)17(22)23-10-16(21)12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1586 kcal/mol

Physical Properties
Molecular Weight: 315.3 g/mol	logS: -4.37029	SlogP: 2.8238	Reactive groups: 0

Topological Properties
Globularity: 0.00548103	Sterimol/B1: 2.53252	Sterimol/B2: 2.54551	Sterimol/B3: 2.84891
Sterimol/B4: 5.84132	Sterimol/L: 19.778

Surface and Volume Properties
Accessible surface: 562.751	Positive charged surface: 302.099	Negative charged surface: 260.651	Volume: 285.625
Hydrophobic surface: 435.245	Hydrophilic surface: 127.506

Pharmacophoric Properties
Hydrogen bond donors: 1	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.