MMsINC Database Search


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MMsINC code: MMs02814007

Type: Neutral
Formula: C₁₀H₁₄N₅O₅P

SMILES:

P(O)(O)(=O)COCC(Cn1c2N=C(NC(=O)c2nc1)N)=C

InChI:

InChI=1/C10H14N5O5P/c1-6(3-20-5-21(17,18)19)2-15-4-12-7-8(15)13-10(11)14-9(7)16/h4H,1-3,5H2,(H2,17,18,19)(H3,11,13,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.43293 kcal/mol

Physical Properties
Molecular Weight: 315.226 g/mol	logS: -0.78551	SlogP: -1.5231	Reactive groups: 0

Topological Properties
Globularity: 0.193881	Sterimol/B1: 2.3721	Sterimol/B2: 3.71199	Sterimol/B3: 3.75191
Sterimol/B4: 8.28933	Sterimol/L: 12.1283

Surface and Volume Properties
Accessible surface: 497.078	Positive charged surface: 333.467	Negative charged surface: 163.611	Volume: 257.25
Hydrophobic surface: 169.209	Hydrophilic surface: 327.869

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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.