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MMsINC code: MMs01259337

Type: Neutral
Formula: C₂₄H₃₅NO₂

SMILES:

O(CC(O)CNCCCCCC)c1ccc(cc1)C(C)(C)c1ccccc1

InChI:

InChI=1/C24H35NO2/c1-4-5-6-10-17-25-18-22(26)19-27-23-15-13-21(14-16-23)24(2,3)20-11-8-7-9-12-20/h7-9,11-16,22,25-26H,4-6,10,17-19H2,1-3H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.724 kcal/mol

Physical Properties
Molecular Weight: 369.549 g/mol	logS: -6.22112	SlogP: 4.9221	Reactive groups: 0

Topological Properties
Globularity: 0.027407	Sterimol/B1: 3.55288	Sterimol/B2: 4.20597	Sterimol/B3: 4.47202
Sterimol/B4: 4.62542	Sterimol/L: 24.9746

Surface and Volume Properties
Accessible surface: 745.209	Positive charged surface: 535.852	Negative charged surface: 209.357	Volume: 404.875
Hydrophobic surface: 629.742	Hydrophilic surface: 115.467

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules

MMs01259338
ENAMINE-ZINC02626771