MMsINC Database Search


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MMsINC code: MMs00753869

Type: Neutral
Formula: C₁₆H₁₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)NC1=Cc2c(OC1=O)cc(O)cc2

InChI:

InChI=1/C16H10FNO4/c17-11-4-1-9(2-5-11)15(20)18-13-7-10-3-6-12(19)8-14(10)22-16(13)21/h1-8,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.393 kcal/mol

Physical Properties
Molecular Weight: 299.257 g/mol	logS: -4.71005	SlogP: 2.2212	Reactive groups: 0

Topological Properties
Globularity: 0.0268494	Sterimol/B1: 2.097	Sterimol/B2: 2.5562	Sterimol/B3: 4.27249
Sterimol/B4: 5.05407	Sterimol/L: 17.2951

Surface and Volume Properties
Accessible surface: 500.854	Positive charged surface: 245.381	Negative charged surface: 255.474	Volume: 256.125
Hydrophobic surface: 358.015	Hydrophilic surface: 142.839

Pharmacophoric Properties
Hydrogen bond donors: 2	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.