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MMsINC code: MMs00361119

Type: Neutral
Formula: C₂₄H₃₃NO₃

SMILES:

O1CCC(CC1(C)C)(Cc1ccccc1)C(CNCc1ccc(O)cc1)CO

InChI:

InChI=1/C24H33NO3/c1-23(2)18-24(12-13-28-23,14-19-6-4-3-5-7-19)21(17-26)16-25-15-20-8-10-22(27)11-9-20/h3-11,21,25-27H,12-18H2,1-2H3/t21-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=221.969 kcal/mol

Physical Properties
Molecular Weight: 383.532 g/mol	logS: -4.08037	SlogP: 4.17477	Reactive groups: 0

Topological Properties
Globularity: 0.100741	Sterimol/B1: 3.2218	Sterimol/B2: 5.06113	Sterimol/B3: 5.093
Sterimol/B4: 6.14947	Sterimol/L: 17.8011

Surface and Volume Properties
Accessible surface: 635.35	Positive charged surface: 438.88	Negative charged surface: 196.47	Volume: 392.125
Hydrophobic surface: 490.468	Hydrophilic surface: 144.882

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
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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Ions/Tautomers related molecules

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