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MMsINC code: MMs02432403

Type: Neutral
Formula: C₂₃H₄₃NO₃

SMILES:

O(C(=O)C(O)(C1C(C)C(CCC1C)C)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)21-18(4)14-13-17(3)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)=157.277 kcal/mol

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

Topological Properties
Globularity: 0.144416	Sterimol/B1: 2.43038	Sterimol/B2: 5.31913	Sterimol/B3: 5.53848
Sterimol/B4: 7.25621	Sterimol/L: 14.4222

Surface and Volume Properties
Accessible surface: 641.921	Positive charged surface: 505.836	Negative charged surface: 136.085	Volume: 413.125
Hydrophobic surface: 542.326	Hydrophilic surface: 99.595

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

MMs02432404
NCID-ZINC05047942