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MMsINC code: MMs03254667

Type: Neutral
Formula: C₁₀H₁₅N₃O₆

SMILES:

O1C(CO)C(O)C(O)C1n1cnc(C(OC)=O)c1N

InChI:

InChI=1/C10H15N3O6/c1-18-10(17)5-8(11)13(3-12-5)9-7(16)6(15)4(2-14)19-9/h3-4,6-7,9,14-16H,2,11H2,1H3/t4-,6+,7-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.398 kcal/mol

Physical Properties
Molecular Weight: 273.245 g/mol	logS: -0.01449	SlogP: -2.0411	Reactive groups: 0

Topological Properties
Globularity: 0.0696452	Sterimol/B1: 2.86546	Sterimol/B2: 3.18993	Sterimol/B3: 3.88088
Sterimol/B4: 5.06835	Sterimol/L: 13.9499

Surface and Volume Properties
Accessible surface: 464.474	Positive charged surface: 355.351	Negative charged surface: 109.123	Volume: 228.5
Hydrophobic surface: 226.422	Hydrophilic surface: 238.052

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.