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MMsINC code: MMs02432415

Type: Neutral
Formula: C₂₃H₄₃NO₃

SMILES:

O(C(=O)C(O)(C1CCC(C)C(C)C1C)C1CCCCC1)CCN(CC)CC

InChI:

InChI=1/C23H43NO3/c1-6-24(7-2)15-16-27-22(25)23(26,20-11-9-8-10-12-20)21-14-13-17(3)18(4)19(21)5/h17-21,26H,6-16H2,1-5H3/t17-,18-,19-,21-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.495 kcal/mol

Physical Properties
Molecular Weight: 381.601 g/mol	logS: -6.24288	SlogP: 4.5011	Reactive groups: 0

Topological Properties
Globularity: 0.107414	Sterimol/B1: 2.36743	Sterimol/B2: 3.63138	Sterimol/B3: 5.4702
Sterimol/B4: 7.61626	Sterimol/L: 16.806

Surface and Volume Properties
Accessible surface: 637.782	Positive charged surface: 493.088	Negative charged surface: 144.694	Volume: 413
Hydrophobic surface: 517.894	Hydrophilic surface: 119.888

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02432416
NCID-ZINC05047949