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MMsINC code: MMs03078754

Type: Neutral
Formula: C₁₀H₁₈N₄O₅

SMILES:

OC(=O)C(NC(=O)CCC(O)=O)CCCN=C(N)N

InChI:

InChI=1/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.0537 kcal/mol

Physical Properties
Molecular Weight: 274.277 g/mol	logS: -0.24271	SlogP: -1.5258	Reactive groups: 0

Topological Properties
Globularity: 0.0492059	Sterimol/B1: 3.22496	Sterimol/B2: 3.35243	Sterimol/B3: 5.0482
Sterimol/B4: 6.19938	Sterimol/L: 15.82

Surface and Volume Properties
Accessible surface: 528.67	Positive charged surface: 370.202	Negative charged surface: 158.467	Volume: 243.5
Hydrophobic surface: 163.889	Hydrophilic surface: 364.781

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03078755
PUBCHEM-ZINC03869657