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MMsINC code: MMs02308396

Type: Ionized
Formula: C₁₁H₁₅N₄O₆P-2

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)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-39.2776 kcal/mol

Physical Properties
Molecular Weight: 330.237 g/mol	logS: -0.81995	SlogP: -1.6534	Reactive groups: 0

Topological Properties
Globularity: 0.0406932	Sterimol/B1: 2.21804	Sterimol/B2: 2.84889	Sterimol/B3: 4.01601
Sterimol/B4: 7.08371	Sterimol/L: 17.1094

Surface and Volume Properties
Accessible surface: 544.919	Positive charged surface: 347.279	Negative charged surface: 197.641	Volume: 271
Hydrophobic surface: 309.16	Hydrophilic surface: 235.759

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 3	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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Parent related molecule:

MMs02308395
NCID-ZINC01672323