MMsINC Database Search


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MMsINC code: MMs02816578

Type: Neutral
Formula: C₁₀H₁₀N₄O₃

SMILES:

O=C1NNC(=O)c2c1c(NC(=O)NC)ccc2

InChI:

InChI=1/C10H10N4O3/c1-11-10(17)12-6-4-2-3-5-7(6)9(16)14-13-8(5)15/h2-4H,1H3,(H,13,15)(H,14,16)(H2,11,12,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5633 kcal/mol

Physical Properties
Molecular Weight: 234.215 g/mol	logS: -1.98121	SlogP: -0.1739	Reactive groups: 0

Topological Properties
Globularity: 0.014453	Sterimol/B1: 2.55991	Sterimol/B2: 2.58863	Sterimol/B3: 4.15437
Sterimol/B4: 5.38416	Sterimol/L: 13.4615

Surface and Volume Properties
Accessible surface: 414.163	Positive charged surface: 283.345	Negative charged surface: 130.818	Volume: 199.75
Hydrophobic surface: 202.146	Hydrophilic surface: 212.017

Pharmacophoric Properties
Hydrogen bond donors: 4	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.