MMsINC Database Search


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MMsINC code: MMs01473721

Type: Neutral
Formula: C₁₈H₁₇F₂NO₄

SMILES:

FC(F)Oc1ccc(cc1)C(OCC(=O)NC(C)c1ccccc1)=O

InChI:

InChI=1/C18H17F2NO4/c1-12(13-5-3-2-4-6-13)21-16(22)11-24-17(23)14-7-9-15(10-8-14)25-18(19)20/h2-10,12,18H,11H2,1H3,(H,21,22)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9745 kcal/mol

Physical Properties
Molecular Weight: 349.333 g/mol	logS: -4.16854	SlogP: 3.8376	Reactive groups: 0

Topological Properties
Globularity: 0.032965	Sterimol/B1: 2.11496	Sterimol/B2: 2.32477	Sterimol/B3: 5.34477
Sterimol/B4: 5.91804	Sterimol/L: 19.941

Surface and Volume Properties
Accessible surface: 611.265	Positive charged surface: 330.355	Negative charged surface: 280.909	Volume: 310.125
Hydrophobic surface: 425.451	Hydrophilic surface: 185.814

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.