MMsINC Database Search


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MMsINC code: MMs03404497

Type: Neutral
Formula: C₄H₁₀N₂O-2

SMILES:

OCC[N-]CC[NH-]

InChI:

InChI=1/C4H10N2O/c5-1-2-6-3-4-7/h5,7H,1-4H2/q-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5695 kcal/mol

Physical Properties
Molecular Weight: 102.137 g/mol	logS: 1.10492	SlogP: -0.3647	Reactive groups: 0

Topological Properties
Globularity: 0.0729032	Sterimol/B1: 2.48381	Sterimol/B2: 2.646	Sterimol/B3: 2.82357
Sterimol/B4: 3.5546	Sterimol/L: 10.5592

Surface and Volume Properties
Accessible surface: 303.246	Positive charged surface: 222.783	Negative charged surface: 80.4628	Volume: 112.5
Hydrophobic surface: 183.031	Hydrophilic surface: 120.215

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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.