MMsINC Database Search


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MMsINC code: MMs03767642

Type: Neutral
Formula: C₈H₁₀FN₃O₄

SMILES:

FC1=CN(C(CCO)C(=O)N)C(=O)NC1=O

InChI:

InChI=1/C8H10FN3O4/c9-4-3-12(8(16)11-7(4)15)5(1-2-13)6(10)14/h3,5,13H,1-2H2,(H2,10,14)(H,11,15,16)/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.2366 kcal/mol

Physical Properties
Molecular Weight: 231.183 g/mol	logS: -0.97409	SlogP: -1.3057	Reactive groups: 0

Topological Properties
Globularity: 0.255531	Sterimol/B1: 2.47526	Sterimol/B2: 4.37875	Sterimol/B3: 4.91319
Sterimol/B4: 5.19625	Sterimol/L: 10.7666

Surface and Volume Properties
Accessible surface: 388.204	Positive charged surface: 230.042	Negative charged surface: 158.162	Volume: 184.125
Hydrophobic surface: 139.339	Hydrophilic surface: 248.865

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.