MMsINC Database Search


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MMsINC code: MMs01246110

Type: Neutral
Formula: C₁₅H₁₂FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1ccccc1)=O

InChI:

InChI=1/C15H12FNO3/c16-13-9-5-4-8-12(13)15(19)20-10-14(18)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0895 kcal/mol

Physical Properties
Molecular Weight: 273.263 g/mol	logS: -4.05802	SlogP: 2.6212	Reactive groups: 0

Topological Properties
Globularity: 0.0133987	Sterimol/B1: 2.62638	Sterimol/B2: 2.71852	Sterimol/B3: 3.22352
Sterimol/B4: 5.19157	Sterimol/L: 16.766

Surface and Volume Properties
Accessible surface: 502.987	Positive charged surface: 279.587	Negative charged surface: 223.4	Volume: 248.75
Hydrophobic surface: 420.649	Hydrophilic surface: 82.338

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.