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MMsINC code: MMs03020613

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)=96.6394 kcal/mol

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

Topological Properties
Globularity: 0.0391902	Sterimol/B1: 3.75827	Sterimol/B2: 3.94453	Sterimol/B3: 3.96771
Sterimol/B4: 4.90182	Sterimol/L: 22.3012

Surface and Volume Properties
Accessible surface: 684.644	Positive charged surface: 467.493	Negative charged surface: 217.151	Volume: 394.625
Hydrophobic surface: 601.001	Hydrophilic surface: 83.643

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

MMs03020614
PUBCHEM-ZINC03607669