MMsINC Database Search


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MMsINC code: MMs00170893

Type: Neutral
Formula: C₁₀H₁₄N₄O₃

SMILES:

O(C)c1nc2N(C)C(=O)N(C)C(=O)c2n1CC

InChI:

InChI=1/C10H14N4O3/c1-5-14-6-7(11-9(14)17-4)12(2)10(16)13(3)8(6)15/h5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.2992 kcal/mol

Physical Properties
Molecular Weight: 238.247 g/mol	logS: -1.66766	SlogP: 0.8198	Reactive groups: 0

Topological Properties
Globularity: 0.062513	Sterimol/B1: 2.0438	Sterimol/B2: 2.46948	Sterimol/B3: 3.40488
Sterimol/B4: 7.64083	Sterimol/L: 12.3905

Surface and Volume Properties
Accessible surface: 440.202	Positive charged surface: 367.598	Negative charged surface: 72.6036	Volume: 216.75
Hydrophobic surface: 326.255	Hydrophilic surface: 113.947

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.