MMsINC Database Search


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MMsINC code: MMs00526826

Type: Neutral
Formula: C₁₀H₁₀N₄O₂

SMILES:

O=C1N(N=Cc2c1cccc2)CC(=O)NN

InChI:

InChI=1/C10H10N4O2/c11-13-9(15)6-14-10(16)8-4-2-1-3-7(8)5-12-14/h1-5H,6,11H2,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.916 kcal/mol

Physical Properties
Molecular Weight: 218.216 g/mol	logS: -2.04515	SlogP: -0.5338	Reactive groups: 0

Topological Properties
Globularity: 0.0652245	Sterimol/B1: 2.76581	Sterimol/B2: 3.63268	Sterimol/B3: 4.10372
Sterimol/B4: 4.38221	Sterimol/L: 13.9448

Surface and Volume Properties
Accessible surface: 419.225	Positive charged surface: 267.237	Negative charged surface: 151.988	Volume: 193.25
Hydrophobic surface: 212.512	Hydrophilic surface: 206.713

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.