MMsINC Database Search


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MMsINC code: MMs02520898

Type: Neutral
Formula: C₁₂H₁₀FNO₂

SMILES:

Fc1ccccc1Cn1cccc1C(O)=O

InChI:

InChI=1/C12H10FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-7H,8H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.086 kcal/mol

Physical Properties
Molecular Weight: 219.215 g/mol	logS: -1.90731	SlogP: 2.6401	Reactive groups: 0

Topological Properties
Globularity: 0.140649	Sterimol/B1: 2.4894	Sterimol/B2: 3.97332	Sterimol/B3: 4.9464
Sterimol/B4: 5.11418	Sterimol/L: 12.7011

Surface and Volume Properties
Accessible surface: 407.343	Positive charged surface: 211.728	Negative charged surface: 195.616	Volume: 199.5
Hydrophobic surface: 295.596	Hydrophilic surface: 111.747

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02520899
NIH-ZINC00259713