MMsINC Database Search


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MMsINC code: MMs01495223

Type: Neutral
Formula: C₁₈H₁₇F₂NO₅

SMILES:

FC(F)Oc1ccccc1C(OC(C(=O)Nc1ccccc1OC)C)=O

InChI:

InChI=1/C18H17F2NO5/c1-11(16(22)21-13-8-4-6-10-15(13)24-2)25-17(23)12-7-3-5-9-14(12)26-18(19)20/h3-11,18H,1-2H3,(H,21,22)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.309 kcal/mol

Physical Properties
Molecular Weight: 365.332 g/mol	logS: -4.27488	SlogP: 3.9005	Reactive groups: 0

Topological Properties
Globularity: 0.0593072	Sterimol/B1: 1.99922	Sterimol/B2: 4.29983	Sterimol/B3: 5.69997
Sterimol/B4: 5.93141	Sterimol/L: 16.6636

Surface and Volume Properties
Accessible surface: 611.569	Positive charged surface: 364.325	Negative charged surface: 247.244	Volume: 319.625
Hydrophobic surface: 444.867	Hydrophilic surface: 166.702

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules: no related molecules available.