MMsINC Database Search


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MMsINC code: MMs03181285

Type: Neutral
Formula: C₁₀H₁₀FN₄O₅-

SMILES:

FC1=NC(=O)c2ncn(c2N1)C1OC(CO)C(O)C1[O-]

InChI:

InChI=1/C10H10FN4O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-17H,1H2,(H,13,14,19)/q-1/t3-,5+,6-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0209 kcal/mol

Physical Properties
Molecular Weight: 285.211 g/mol	logS: -1.16962	SlogP: -1.0805	Reactive groups: 0

Topological Properties
Globularity: 0.0939615	Sterimol/B1: 2.2492	Sterimol/B2: 3.32426	Sterimol/B3: 3.35056
Sterimol/B4: 6.44079	Sterimol/L: 12.695

Surface and Volume Properties
Accessible surface: 432.985	Positive charged surface: 243.086	Negative charged surface: 189.898	Volume: 216
Hydrophobic surface: 164.479	Hydrophilic surface: 268.506

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 1	Basic groups: 0
Chiral centers: 4

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.