MMsINC Database Search


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MMsINC code: MMs01565234

Type: Neutral
Formula: C₁₉H₁₈FNO₅

SMILES:

Fc1ccc(cc1)C(NC(=O)COC(=O)c1cc2OCCOc2cc1)C

InChI:

InChI=1/C19H18FNO5/c1-12(13-2-5-15(20)6-3-13)21-18(22)11-26-19(23)14-4-7-16-17(10-14)25-9-8-24-16/h2-7,10,12H,8-9,11H2,1H3,(H,21,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.549 kcal/mol

Physical Properties
Molecular Weight: 359.353 g/mol	logS: -4.57887	SlogP: 2.7266	Reactive groups: 0

Topological Properties
Globularity: 0.0289916	Sterimol/B1: 2.17292	Sterimol/B2: 2.67273	Sterimol/B3: 5.33263
Sterimol/B4: 5.54274	Sterimol/L: 20.7271

Surface and Volume Properties
Accessible surface: 634.996	Positive charged surface: 392.213	Negative charged surface: 242.783	Volume: 325.5
Hydrophobic surface: 515.157	Hydrophilic surface: 119.839

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.