MMsINC Database Search


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MMsINC code: MMs01488225

Type: Neutral
Formula: C₁₇H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C17H14FNO4/c1-11(20)19-15-4-2-3-13(9-15)17(22)23-10-16(21)12-5-7-14(18)8-6-12/h2-9H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0535 kcal/mol

Physical Properties
Molecular Weight: 315.3 g/mol	logS: -4.37029	SlogP: 2.8238	Reactive groups: 0

Topological Properties
Globularity: 0.00596701	Sterimol/B1: 2.44504	Sterimol/B2: 2.58094	Sterimol/B3: 2.60814
Sterimol/B4: 7.33242	Sterimol/L: 18.8528

Surface and Volume Properties
Accessible surface: 565.901	Positive charged surface: 301.944	Negative charged surface: 263.956	Volume: 284.25
Hydrophobic surface: 437.983	Hydrophilic surface: 127.918

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