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MMsINC code: MMs03428005

Type: Neutral
Formula: C₁₀H₁₇N₆O₄P

SMILES:

P(OCC)(O)(=O)COCCn1c2nc(nc(N)c2nc1)N

InChI:

InChI=1/C10H17N6O4P/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.98825 kcal/mol

Physical Properties
Molecular Weight: 316.258 g/mol	logS: -1.57172	SlogP: -0.6171	Reactive groups: 0

Topological Properties
Globularity: 0.102267	Sterimol/B1: 2.27459	Sterimol/B2: 4.47441	Sterimol/B3: 4.63999
Sterimol/B4: 5.86753	Sterimol/L: 16.5753

Surface and Volume Properties
Accessible surface: 561.538	Positive charged surface: 430.703	Negative charged surface: 130.834	Volume: 270.5
Hydrophobic surface: 255.463	Hydrophilic surface: 306.075

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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.