MMsINC Database Search


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

MMsINC code: MMs00473102

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1cc2cc(n(c2cc1)C)C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C19H17FN2O3/c1-22-16-8-7-14(20)10-13(16)11-17(22)18(23)21-15(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,24,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0645 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -3.98803	SlogP: 3.10227	Reactive groups: 0

Topological Properties
Globularity: 0.131257	Sterimol/B1: 2.47027	Sterimol/B2: 3.60262	Sterimol/B3: 5.32072
Sterimol/B4: 7.71477	Sterimol/L: 14.4904

Surface and Volume Properties
Accessible surface: 572.492	Positive charged surface: 315.397	Negative charged surface: 251.958	Volume: 313.125
Hydrophobic surface: 453.762	Hydrophilic surface: 118.73

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00473103
AURORAFEINCHEMIE-ZINC05245038