MMsINC Database Search


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MMsINC code: MMs03420313

Type: Neutral
Formula: C₁₁H₁₄FN₅O₄

SMILES:

Fc1nc(nc2n(cnc12)COC(COC(=O)C)CO)N

InChI:

InChI=1/C11H14FN5O4/c1-6(19)20-3-7(2-18)21-5-17-4-14-8-9(12)15-11(13)16-10(8)17/h4,7,18H,2-3,5H2,1H3,(H2,13,15,16)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2817 kcal/mol

Physical Properties
Molecular Weight: 299.262 g/mol	logS: -2.35594	SlogP: -0.2879	Reactive groups: 0

Topological Properties
Globularity: 0.0571452	Sterimol/B1: 3.04264	Sterimol/B2: 3.6912	Sterimol/B3: 3.7351
Sterimol/B4: 6.00993	Sterimol/L: 16.0891

Surface and Volume Properties
Accessible surface: 527.409	Positive charged surface: 377.72	Negative charged surface: 149.689	Volume: 252.125
Hydrophobic surface: 291.644	Hydrophilic surface: 235.765

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.