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MMsINC code: MMs00056375

Type: Neutral
Formula: C₁₆H₁₀FNO₂

SMILES:

Fc1ccccc1-c1nc2c(cccc2)c(c1)C(O)=O

InChI:

InChI=1/C16H10FNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0545 kcal/mol

Physical Properties
Molecular Weight: 267.259 g/mol	logS: -4.63298	SlogP: 3.7391	Reactive groups: 0

Topological Properties
Globularity: 0.000578066	Sterimol/B1: 2.15662	Sterimol/B2: 2.20449	Sterimol/B3: 3.70868
Sterimol/B4: 6.99423	Sterimol/L: 14.1981

Surface and Volume Properties
Accessible surface: 462.735	Positive charged surface: 234.243	Negative charged surface: 217.391	Volume: 241.875
Hydrophobic surface: 356.269	Hydrophilic surface: 106.466

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

MMs00056376
APOLLO-ZINC03883871