MMsINC Database Search


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MMsINC code: MMs00609067

Type: Neutral
Formula: C₁₇H₁₆FNO₄

SMILES:

Fc1ccccc1OC(C(=O)Nc1ccccc1C(OC)=O)C

InChI:

InChI=1/C17H16FNO4/c1-11(23-15-10-6-4-8-13(15)18)16(20)19-14-9-5-3-7-12(14)17(21)22-2/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.98 kcal/mol

Physical Properties
Molecular Weight: 317.316 g/mol	logS: -4.43561	SlogP: 3.0183	Reactive groups: 0

Topological Properties
Globularity: 0.0331428	Sterimol/B1: 2.5027	Sterimol/B2: 3.82191	Sterimol/B3: 4.08657
Sterimol/B4: 7.0233	Sterimol/L: 15.8814

Surface and Volume Properties
Accessible surface: 556.884	Positive charged surface: 342.158	Negative charged surface: 214.726	Volume: 288.75
Hydrophobic surface: 478.404	Hydrophilic surface: 78.48

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.