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MMsINC code: MMs01733428

Type: Neutral
Formula: C₁₆H₁₀FNO₂

SMILES:

Fc1cc2c(nc(cc2C(O)=O)-c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0851 kcal/mol

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

Topological Properties
Globularity: 0.000104442	Sterimol/B1: 2.10546	Sterimol/B2: 2.11016	Sterimol/B3: 4.38648
Sterimol/B4: 6.3169	Sterimol/L: 14.4816

Surface and Volume Properties
Accessible surface: 470.12	Positive charged surface: 225.129	Negative charged surface: 233.92	Volume: 242.25
Hydrophobic surface: 360.532	Hydrophilic surface: 109.588

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

MMs01733429
IBS-ZINC00238381