MMsINC Database Search


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

MMsINC code: MMs01312276

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(OCC(=O)Nc1ccc(cc1)C(C)(C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6353 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -6.0776	SlogP: 3.9187	Reactive groups: 0

Topological Properties
Globularity: 0.024555	Sterimol/B1: 2.04182	Sterimol/B2: 3.77932	Sterimol/B3: 4.71297
Sterimol/B4: 5.2562	Sterimol/L: 19.3179

Surface and Volume Properties
Accessible surface: 605.098	Positive charged surface: 351.757	Negative charged surface: 253.342	Volume: 320.25
Hydrophobic surface: 468.445	Hydrophilic surface: 136.653

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.