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MMsINC code: MMs00645946

Type: Neutral
Formula: C₂₃H₃₉NO₃

SMILES:

O1CCN(CC1)CC(O)COc1ccc(cc1C(CC)(C)C)C(CC)(C)C

InChI:

InChI=1/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.724 kcal/mol

Physical Properties
Molecular Weight: 377.569 g/mol	logS: -6.17824	SlogP: 4.1337	Reactive groups: 0

Topological Properties
Globularity: 0.0564181	Sterimol/B1: 2.56548	Sterimol/B2: 3.61719	Sterimol/B3: 3.72933
Sterimol/B4: 9.25678	Sterimol/L: 18.4603

Surface and Volume Properties
Accessible surface: 691.8	Positive charged surface: 524.24	Negative charged surface: 167.561	Volume: 406.75
Hydrophobic surface: 537.416	Hydrophilic surface: 154.384

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00645947
CHEMBRIDGE-ZINC00938377