MMsINC Database Search


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MMsINC code: MMs02229580

Type: Neutral
Formula: C₁₀H₁₀N₆O₄

SMILES:

O=C1NNC(=O)C1n1c2c(nc1)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C10H10N6O4/c1-14-6-4(9(19)15(2)10(14)20)16(3-11-6)5-7(17)12-13-8(5)18/h3,5H,1-2H3,(H,12,17)(H,13,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.78028 kcal/mol

Physical Properties
Molecular Weight: 278.228 g/mol	logS: -1.29423	SlogP: -1.6775	Reactive groups: 0

Topological Properties
Globularity: 0.0802235	Sterimol/B1: 2.2491	Sterimol/B2: 4.06423	Sterimol/B3: 4.1493
Sterimol/B4: 7.10986	Sterimol/L: 12.3743

Surface and Volume Properties
Accessible surface: 446.849	Positive charged surface: 308.583	Negative charged surface: 138.266	Volume: 222.875
Hydrophobic surface: 192.689	Hydrophilic surface: 254.16

Pharmacophoric Properties
Hydrogen bond donors: 2	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.