MMsINC Database Search


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MMsINC code: MMs03089695

Type: Neutral
Formula: C₆H₁₅N₂O₇P

SMILES:

P(OC1C(O)C(N)C(O)C(N)C1O)(O)(O)=O

InChI:

InChI=1/C6H15N2O7P/c7-1-3(9)2(8)5(11)6(4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3-,4+,5-,6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-9.54389 kcal/mol

Physical Properties
Molecular Weight: 258.167 g/mol	logS: 1.90048	SlogP: -4.855	Reactive groups: 0

Topological Properties
Globularity: 0.0908011	Sterimol/B1: 2.64306	Sterimol/B2: 3.25483	Sterimol/B3: 3.36498
Sterimol/B4: 5.74909	Sterimol/L: 12.0814

Surface and Volume Properties
Accessible surface: 413.068	Positive charged surface: 275.671	Negative charged surface: 137.398	Volume: 197.5
Hydrophobic surface: 73.0049	Hydrophilic surface: 340.0631

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 9	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.