MMsINC Database Search


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

MMsINC code: MMs01630235

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccc(cc1)C(OCCCC)=O

InChI:

InChI=1/C19H20FNO3/c1-2-3-12-24-19(23)15-6-10-17(11-7-15)21-18(22)13-14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1939 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.13725	SlogP: 3.96377	Reactive groups: 0

Topological Properties
Globularity: 0.0313249	Sterimol/B1: 3.67054	Sterimol/B2: 3.80197	Sterimol/B3: 4.00627
Sterimol/B4: 4.27477	Sterimol/L: 21.3044

Surface and Volume Properties
Accessible surface: 629.353	Positive charged surface: 390.797	Negative charged surface: 238.556	Volume: 319.75
Hydrophobic surface: 528.869	Hydrophilic surface: 100.484

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.