MMsINC Database Search


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MMsINC code: MMs02991627

Type: Neutral
Formula: C₉H₉FN₄O₃

SMILES:

Fc1ccc(NC(=O)NNC(=O)C(=O)N)cc1

InChI:

InChI=1/C9H9FN4O3/c10-5-1-3-6(4-2-5)12-9(17)14-13-8(16)7(11)15/h1-4H,(H2,11,15)(H,13,16)(H2,12,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0968 kcal/mol

Physical Properties
Molecular Weight: 240.194 g/mol	logS: -2.28622	SlogP: -0.5363	Reactive groups: 0

Topological Properties
Globularity: 0.0152742	Sterimol/B1: 2.19775	Sterimol/B2: 2.91785	Sterimol/B3: 2.92645
Sterimol/B4: 4.79183	Sterimol/L: 15.1903

Surface and Volume Properties
Accessible surface: 434.018	Positive charged surface: 230.033	Negative charged surface: 203.984	Volume: 194.875
Hydrophobic surface: 194.784	Hydrophilic surface: 239.234

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