MMsINC Database Search


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MMsINC code: MMs00990784

Type: Neutral
Formula: C₁₉H₁₄FNO₃

SMILES:

Fc1ccccc1Cn1c2c3c(oc2cc1C(OC)=O)cccc3

InChI:

InChI=1/C19H14FNO3/c1-23-19(22)15-10-17-18(13-7-3-5-9-16(13)24-17)21(15)11-12-6-2-4-8-14(12)20/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4244 kcal/mol

Physical Properties
Molecular Weight: 323.323 g/mol	logS: -5.58045	SlogP: 4.6279	Reactive groups: 0

Topological Properties
Globularity: 0.0948296	Sterimol/B1: 2.7608	Sterimol/B2: 3.21665	Sterimol/B3: 3.82314
Sterimol/B4: 7.40363	Sterimol/L: 14.1713

Surface and Volume Properties
Accessible surface: 520.547	Positive charged surface: 306.611	Negative charged surface: 213.936	Volume: 295.125
Hydrophobic surface: 456.838	Hydrophilic surface: 63.709

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.