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NCID-ZINC01648506

MMsINC code: MMs02288653

Type: Neutral
Formula: C₄H₁₀N₂O₂

SMILES:

OC(=O)C(NN)CC

InChI:

InChI=1/C4H10N2O2/c1-2-3(6-5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8572 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 118.136 g/mol	logS: 0.21335	SlogP: -0.6871	Reactive groups: 0

Topological Properties
Globularity: 0.143493	Sterimol/B1: 2.42868	Sterimol/B2: 2.8029	Sterimol/B3: 2.88585
Sterimol/B4: 5.30805	Sterimol/L: 8.59646

Surface and Volume Properties
Accessible surface: 291.489	Positive charged surface: 200.048	Negative charged surface: 91.4413	Volume: 112.875
Hydrophobic surface: 100.983	Hydrophilic surface: 190.506

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02288654
NCID-ZINC01648506