MMsINC Database Search


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MMsINC code: MMs01602217

Type: Neutral
Formula: C₁₇H₁₄FNO₃

SMILES:

Fc1ccccc1CNC(=O)C1OC(=O)c2c(C1)cccc2

InChI:

InChI=1/C17H14FNO3/c18-14-8-4-2-6-12(14)10-19-16(20)15-9-11-5-1-3-7-13(11)17(21)22-15/h1-8,15H,9-10H2,(H,19,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4734 kcal/mol

Physical Properties
Molecular Weight: 299.301 g/mol	logS: -4.18593	SlogP: 2.48997	Reactive groups: 0

Topological Properties
Globularity: 0.045761	Sterimol/B1: 2.51105	Sterimol/B2: 3.26868	Sterimol/B3: 3.49643
Sterimol/B4: 6.67745	Sterimol/L: 15.9762

Surface and Volume Properties
Accessible surface: 529.209	Positive charged surface: 280.478	Negative charged surface: 248.731	Volume: 272.875
Hydrophobic surface: 419.385	Hydrophilic surface: 109.824

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.