MMsINC Database Search


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MMsINC code: MMs02192506

Type: Neutral
Formula: C₁₉H₁₀FNO₄

SMILES:

Fc1ccccc1C=1OC(=O)/C(/N=1)=C/C1=COc2c(cccc2)C1=O

InChI:

InChI=1/C19H10FNO4/c20-14-7-3-1-5-12(14)18-21-15(19(23)25-18)9-11-10-24-16-8-4-2-6-13(16)17(11)22/h1-10H/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9754 kcal/mol

Physical Properties
Molecular Weight: 335.29 g/mol	logS: -6.48493	SlogP: 3.1722	Reactive groups: 1

Topological Properties
Globularity: 0.0034771	Sterimol/B1: 2.097	Sterimol/B2: 2.79903	Sterimol/B3: 4.10517
Sterimol/B4: 6.82271	Sterimol/L: 17.0418

Surface and Volume Properties
Accessible surface: 534.78	Positive charged surface: 267.356	Negative charged surface: 267.424	Volume: 289.125
Hydrophobic surface: 421.665	Hydrophilic surface: 113.115

Pharmacophoric Properties
Hydrogen bond donors: 0	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.