MMsINC Database Search


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MMsINC code: MMs01697493

Type: Neutral
Formula: C₁₇H₁₃FN₂O₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2c3c([nH]c2)cccc3)cc1

InChI:

InChI=1/C17H13FN2O3/c18-11-5-7-12(8-6-11)20-16(21)10-23-17(22)14-9-19-15-4-2-1-3-13(14)15/h1-9,19H,10H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2271 kcal/mol

Physical Properties
Molecular Weight: 312.3 g/mol	logS: -4.34792	SlogP: 3.1025	Reactive groups: 0

Topological Properties
Globularity: 0.00893871	Sterimol/B1: 2.41721	Sterimol/B2: 2.60303	Sterimol/B3: 2.79389
Sterimol/B4: 5.67435	Sterimol/L: 19.0502

Surface and Volume Properties
Accessible surface: 556.105	Positive charged surface: 293.247	Negative charged surface: 257.014	Volume: 279.875
Hydrophobic surface: 426.08	Hydrophilic surface: 130.025

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: no related molecules available.