MMsINC Database Search


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

MMsINC code: MMs01544699

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₅

SMILES:

FC(F)Oc1ccc(cc1)C1(NC(=O)N(Cc2cc3OCOc3cc2)C1=O)C

InChI:

InChI=1/C19H16F2N2O5/c1-19(12-3-5-13(6-4-12)28-17(20)21)16(24)23(18(25)22-19)9-11-2-7-14-15(8-11)27-10-26-14/h2-8,17H,9-10H2,1H3,(H,22,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6578 kcal/mol

Physical Properties
Molecular Weight: 390.342 g/mol	logS: -3.98685	SlogP: 3.9817	Reactive groups: 0

Topological Properties
Globularity: 0.0793926	Sterimol/B1: 2.05799	Sterimol/B2: 4.03249	Sterimol/B3: 4.57493
Sterimol/B4: 6.3731	Sterimol/L: 17.9438

Surface and Volume Properties
Accessible surface: 589.06	Positive charged surface: 335.769	Negative charged surface: 253.29	Volume: 326.875
Hydrophobic surface: 350.71	Hydrophilic surface: 238.35

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.