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MMsINC code: MMs02308395

Type: Neutral
Formula: C₁₁H₁₇N₄O₆P

SMILES:

P(OCCCCn1c2c(nc1)N(C)C(=O)N(C)C2=O)(O)(O)=O

InChI:

InChI=1/C11H17N4O6P/c1-13-9-8(10(16)14(2)11(13)17)15(7-12-9)5-3-4-6-21-22(18,19)20/h7H,3-6H2,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-85.4519 kcal/mol

Physical Properties
Molecular Weight: 332.253 g/mol	logS: -0.67691	SlogP: -0.3894	Reactive groups: 0

Topological Properties
Globularity: 0.0529736	Sterimol/B1: 2.56633	Sterimol/B2: 3.75504	Sterimol/B3: 4.5462
Sterimol/B4: 6.22575	Sterimol/L: 17.2749

Surface and Volume Properties
Accessible surface: 557.336	Positive charged surface: 404.63	Negative charged surface: 152.705	Volume: 275.25
Hydrophobic surface: 313.782	Hydrophilic surface: 243.554

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02308396
NCID-ZINC01672323