MMsINC Database Search


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

MMsINC code: MMs01825669

Type: Neutral
Formula: C₁₅H₁₇FNO₃P

SMILES:

P(OC)(OC)(=O)C(Nc1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C15H17FNO3P/c1-19-21(18,20-2)15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h3-11,15,17H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.705 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -3.14579	SlogP: 3.4476	Reactive groups: 0

Topological Properties
Globularity: 0.190997	Sterimol/B1: 2.43958	Sterimol/B2: 3.3938	Sterimol/B3: 3.96319
Sterimol/B4: 8.24491	Sterimol/L: 13.5605

Surface and Volume Properties
Accessible surface: 535.545	Positive charged surface: 337.82	Negative charged surface: 197.725	Volume: 284.125
Hydrophobic surface: 506.258	Hydrophilic surface: 29.287

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.