MMsINC Database Search


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MMsINC code: MMs01335592

Type: Neutral
Formula: C₁₆H₁₄FNO₄

SMILES:

Fc1ccccc1NC(=O)COc1ccc(cc1OC)C=O

InChI:

InChI=1/C16H14FNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-9H,10H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.073 kcal/mol

Physical Properties
Molecular Weight: 303.289 g/mol	logS: -3.78316	SlogP: 2.6643	Reactive groups: 1

Topological Properties
Globularity: 0.0137308	Sterimol/B1: 2.37416	Sterimol/B2: 2.49934	Sterimol/B3: 3.01546
Sterimol/B4: 7.47214	Sterimol/L: 17.3593

Surface and Volume Properties
Accessible surface: 547.345	Positive charged surface: 343.798	Negative charged surface: 203.547	Volume: 272.75
Hydrophobic surface: 424.607	Hydrophilic surface: 122.738

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.