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MMsINC code: MMs03020615

Type: Neutral
Formula: C₂₄H₃₃NO₂

SMILES:

O(CCC)c1ccc(cc1)C(O)C(N1CCC(CC1)Cc1ccccc1)C

InChI:

InChI=1/C24H33NO2/c1-3-17-27-23-11-9-22(10-12-23)24(26)19(2)25-15-13-21(14-16-25)18-20-7-5-4-6-8-20/h4-12,19,21,24,26H,3,13-18H2,1-2H3/t19-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.63 kcal/mol

Physical Properties
Molecular Weight: 367.533 g/mol	logS: -4.73189	SlogP: 4.94747	Reactive groups: 0

Topological Properties
Globularity: 0.0348245	Sterimol/B1: 3.51208	Sterimol/B2: 4.02908	Sterimol/B3: 4.33662
Sterimol/B4: 4.7354	Sterimol/L: 22.0522

Surface and Volume Properties
Accessible surface: 698.12	Positive charged surface: 474.492	Negative charged surface: 223.628	Volume: 395
Hydrophobic surface: 619.628	Hydrophilic surface: 78.492

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03020616
PUBCHEM-ZINC03607672