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MMsINC code: MMs03761953

Type: Ionized
Formula: C₁₀H₂₆N₂O₂+2

SMILES:

OCCC([NH2+]CC[NH2+]C(CCO)C)C

InChI:

InChI=1/C10H24N2O2/c1-9(3-7-13)11-5-6-12-10(2)4-8-14/h9-14H,3-8H2,1-2H3/p+2/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9317 kcal/mol

Physical Properties
Molecular Weight: 206.33 g/mol	logS: 0.27148	SlogP: -2.345	Reactive groups: 0

Topological Properties
Globularity: 0.0839383	Sterimol/B1: 2.10138	Sterimol/B2: 2.13935	Sterimol/B3: 4.22069
Sterimol/B4: 6.05545	Sterimol/L: 13.672

Surface and Volume Properties
Accessible surface: 490	Positive charged surface: 394.903	Negative charged surface: 95.0968	Volume: 233
Hydrophobic surface: 307.497	Hydrophilic surface: 182.503

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
Chiral centers: 2

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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Parent related molecule:

MMs03761952
PUBCHEM-ZINC06487150