MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03470906

Type: Neutral
Formula: C₁₀H₁₅N₆O₄P

SMILES:

P(O)(O)(=O)C1OC(CC1)Cn1c2nc(nc(N)c2nc1)N

InChI:

InChI=1/C10H15N6O4P/c11-8-7-9(15-10(12)14-8)16(4-13-7)3-5-1-2-6(20-5)21(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H4,11,12,14,15)/t5-,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.765 kcal/mol

Physical Properties
Molecular Weight: 314.242 g/mol	logS: -1.62694	SlogP: -1.1303	Reactive groups: 0

Topological Properties
Globularity: 0.138405	Sterimol/B1: 2.48621	Sterimol/B2: 3.61446	Sterimol/B3: 3.87027
Sterimol/B4: 7.91899	Sterimol/L: 13.0981

Surface and Volume Properties
Accessible surface: 498.922	Positive charged surface: 367.575	Negative charged surface: 131.347	Volume: 255.75
Hydrophobic surface: 186.172	Hydrophilic surface: 312.75

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.