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MMsINC code: MMs03410571

Type: Neutral
Formula: C₁₅H₂₇NO₃

SMILES:

O(C(=O)C(O)C1CCCCC1)CCN1CCCCC1

InChI:

InChI=1/C15H27NO3/c17-14(13-7-3-1-4-8-13)15(18)19-12-11-16-9-5-2-6-10-16/h13-14,17H,1-12H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4667 kcal/mol

Physical Properties
Molecular Weight: 269.385 g/mol	logS: -2.62258	SlogP: 1.9567	Reactive groups: 0

Topological Properties
Globularity: 0.127716	Sterimol/B1: 2.52257	Sterimol/B2: 3.3458	Sterimol/B3: 4.42526
Sterimol/B4: 7.58399	Sterimol/L: 12.7041

Surface and Volume Properties
Accessible surface: 492.816	Positive charged surface: 399.044	Negative charged surface: 93.7716	Volume: 282
Hydrophobic surface: 417.59	Hydrophilic surface: 75.226

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03410572
PUBCHEM-ZINC05840620