MMsINC Database Search


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

MMsINC code: MMs00687903

Type: Neutral
Formula: C₂₃H₁₆FNO₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(C)c(cc1)C1=Cc2c(OC1=O)cccc2

InChI:

InChI=1/C23H16FNO3/c1-14-12-18(25-22(26)15-6-8-17(24)9-7-15)10-11-19(14)20-13-16-4-2-3-5-21(16)28-23(20)27/h2-13H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.623 kcal/mol

Physical Properties
Molecular Weight: 373.383 g/mol	logS: -7.28738	SlogP: 4.84602	Reactive groups: 0

Topological Properties
Globularity: 0.033207	Sterimol/B1: 2.30246	Sterimol/B2: 2.4562	Sterimol/B3: 4.48933
Sterimol/B4: 6.51576	Sterimol/L: 20.8948

Surface and Volume Properties
Accessible surface: 624.204	Positive charged surface: 318.449	Negative charged surface: 305.756	Volume: 344.25
Hydrophobic surface: 540.662	Hydrophilic surface: 83.542

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.