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MMsINC code: MMs02828578

Type: Ionized
Formula: C₁₀H₁₀N₅O₄-

SMILES:

O=C1N(C)C(=O)N(c2nc3n(c12)CC(N3)C(=O)[O-])C

InChI:

InChI=1/C10H11N5O4/c1-13-6-5(7(16)14(2)10(13)19)15-3-4(8(17)18)11-9(15)12-6/h4H,3H2,1-2H3,(H,11,12)(H,17,18)/p-1/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.02925 kcal/mol

Physical Properties
Molecular Weight: 264.221 g/mol	logS: -1.49166	SlogP: -1.6647	Reactive groups: 0

Topological Properties
Globularity: 0.0369953	Sterimol/B1: 1.98916	Sterimol/B2: 2.71806	Sterimol/B3: 2.95621
Sterimol/B4: 7.28827	Sterimol/L: 12.9541

Surface and Volume Properties
Accessible surface: 432.557	Positive charged surface: 299.022	Negative charged surface: 133.534	Volume: 214.125
Hydrophobic surface: 204.479	Hydrophilic surface: 228.078

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02828577
PUBCHEM-ZINC01863068