MMsINC Database Search


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

MMsINC code: MMs01444113

Type: Neutral
Formula: C₁₈H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C18H17FN2O4/c1-12(22)21-16-4-2-3-14(9-16)18(24)25-11-17(23)20-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6102 kcal/mol

Physical Properties
Molecular Weight: 344.342 g/mol	logS: -4.21151	SlogP: 2.5237	Reactive groups: 0

Topological Properties
Globularity: 0.0239299	Sterimol/B1: 2.46711	Sterimol/B2: 3.6324	Sterimol/B3: 3.69204
Sterimol/B4: 7.37545	Sterimol/L: 20.8117

Surface and Volume Properties
Accessible surface: 632.379	Positive charged surface: 363.745	Negative charged surface: 268.634	Volume: 316.25
Hydrophobic surface: 485.324	Hydrophilic surface: 147.055

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.