MMsINC Database Search


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MMsINC code: MMs02570546

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccc(NC(=O)c2ccc(OCC(OCCOC)=O)cc2)cc1

InChI:

InChI=1/C18H18FNO5/c1-23-10-11-24-17(21)12-25-16-8-2-13(3-9-16)18(22)20-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8727 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -4.25104	SlogP: 2.6464	Reactive groups: 1

Topological Properties
Globularity: 0.0133753	Sterimol/B1: 2.17569	Sterimol/B2: 2.442	Sterimol/B3: 3.60605
Sterimol/B4: 7.41855	Sterimol/L: 21.8503

Surface and Volume Properties
Accessible surface: 634.74	Positive charged surface: 407.045	Negative charged surface: 227.695	Volume: 315.5
Hydrophobic surface: 539.202	Hydrophilic surface: 95.538

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

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Ions/Tautomers related molecules: no related molecules available.