MMsINC Database Search


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MMsINC code: MMs03465843

Type: Neutral
Formula: C₁₀H₁₆N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1N1C=CC(=NC1=O)N(N)C

InChI:

InChI=1/C10H16N4O5/c1-13(11)6-2-3-14(10(18)12-6)9-8(17)7(16)5(4-15)19-9/h2-3,5,7-9,15-17H,4,11H2,1H3/t5-,7-,8-,9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8525 kcal/mol

Physical Properties
Molecular Weight: 272.261 g/mol	logS: 0.05365	SlogP: -2.4213	Reactive groups: 0

Topological Properties
Globularity: 0.084135	Sterimol/B1: 2.58148	Sterimol/B2: 3.25347	Sterimol/B3: 4.06529
Sterimol/B4: 5.5883	Sterimol/L: 13.7474

Surface and Volume Properties
Accessible surface: 476.151	Positive charged surface: 353.798	Negative charged surface: 122.353	Volume: 233.125
Hydrophobic surface: 223.314	Hydrophilic surface: 252.837

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	Acid groups: 0	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.