MMsINC Database Search


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MMsINC code: MMs02380266

Type: Neutral
Formula: C₁₀H₁₄N₆O₃

SMILES:

O1C(CO)C(O)CC1n1c2ncnc(N)c2nc1N

InChI:

InChI=1/C10H14N6O3/c11-8-7-9(14-3-13-8)16(10(12)15-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,15)(H2,11,13,14)/t4-,5+,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3119 kcal/mol

Physical Properties
Molecular Weight: 266.261 g/mol	logS: -1.68961	SlogP: -1.2731	Reactive groups: 0

Topological Properties
Globularity: 0.100455	Sterimol/B1: 2.44446	Sterimol/B2: 2.91444	Sterimol/B3: 4.26616
Sterimol/B4: 6.2483	Sterimol/L: 13.7932

Surface and Volume Properties
Accessible surface: 462.263	Positive charged surface: 354.033	Negative charged surface: 108.23	Volume: 226.625
Hydrophobic surface: 143.924	Hydrophilic surface: 318.339

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.