MMsINC Database Search


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MMsINC code: MMs02625889

Type: Neutral
Formula: C₁₀H₁₀N₆O₃

SMILES:

o1nc(nc1C)Cn1c2c(nc1)N(C)C(=O)NC2=O

InChI:

InChI=1/C10H10N6O3/c1-5-12-6(14-19-5)3-16-4-11-8-7(16)9(17)13-10(18)15(8)2/h4H,3H2,1-2H3,(H,13,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.20445 kcal/mol

Physical Properties
Molecular Weight: 262.229 g/mol	logS: -1.6677	SlogP: 0.18882	Reactive groups: 0

Topological Properties
Globularity: 0.138569	Sterimol/B1: 2.48185	Sterimol/B2: 3.59324	Sterimol/B3: 4.6697
Sterimol/B4: 5.4213	Sterimol/L: 14.0039

Surface and Volume Properties
Accessible surface: 447.935	Positive charged surface: 306.053	Negative charged surface: 141.882	Volume: 217.375
Hydrophobic surface: 255.674	Hydrophilic surface: 192.261

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: no related molecules available.