MMsINC Database Search


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MMsINC code: MMs01725022

Type: Neutral
Formula: C₈H₉FN₂O₃

SMILES:

FC1=CN(C2OCCC2)C(=O)NC1=O

InChI:

InChI=1/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.00455 kcal/mol

Physical Properties
Molecular Weight: 200.169 g/mol	logS: -1.27205	SlogP: 0.5945	Reactive groups: 0

Topological Properties
Globularity: 0.10364	Sterimol/B1: 2.93914	Sterimol/B2: 2.94035	Sterimol/B3: 3.54083
Sterimol/B4: 5.20273	Sterimol/L: 11.1707

Surface and Volume Properties
Accessible surface: 347.925	Positive charged surface: 213.819	Negative charged surface: 134.107	Volume: 161.875
Hydrophobic surface: 220.241	Hydrophilic surface: 127.684

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.