MMsINC Database Search


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MMsINC code: MMs03397999

Type: Neutral
Formula: C₁₀H₁₅N₅O₄

SMILES:

O=C1N=C(Nc2ncn(c12)C)NC(CO)(CO)CO

InChI:

InChI=1/C10H15N5O4/c1-15-5-11-7-6(15)8(19)13-9(12-7)14-10(2-16,3-17)4-18/h5,16-18H,2-4H2,1H3,(H2,12,13,14,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9845 kcal/mol

Physical Properties
Molecular Weight: 269.261 g/mol	logS: -0.38746	SlogP: -1.9937	Reactive groups: 0

Topological Properties
Globularity: 0.126765	Sterimol/B1: 2.69735	Sterimol/B2: 4.54625	Sterimol/B3: 4.55829
Sterimol/B4: 5.11593	Sterimol/L: 14.2354

Surface and Volume Properties
Accessible surface: 465.481	Positive charged surface: 377.271	Negative charged surface: 88.2107	Volume: 230.625
Hydrophobic surface: 211.394	Hydrophilic surface: 254.087

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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.