MMsINC Database Search


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MMsINC code: MMs00608152

Type: Neutral
Formula: C₁₀H₁₀FNO₃

SMILES:

Fc1cc(ccc1)C(=O)NCC(OC)=O

InChI:

InChI=1/C10H10FNO3/c1-15-9(13)6-12-10(14)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7768 kcal/mol

Physical Properties
Molecular Weight: 211.192 g/mol	logS: -2.23416	SlogP: 0.7285	Reactive groups: 1

Topological Properties
Globularity: 0.0103687	Sterimol/B1: 2.37527	Sterimol/B2: 2.37629	Sterimol/B3: 3.88485
Sterimol/B4: 4.64765	Sterimol/L: 14.5123

Surface and Volume Properties
Accessible surface: 420.023	Positive charged surface: 254.252	Negative charged surface: 165.771	Volume: 187.875
Hydrophobic surface: 324.202	Hydrophilic surface: 95.821

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.