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MMsINC code: MMs00448113

Type: Neutral
Formula: C₂₃H₃₇NO₂

SMILES:

O(C(C)C)c1ccc(cc1)C(O)(CCN1CCCCC1)C1CCCCC1

InChI:

InChI=1/C23H37NO2/c1-19(2)26-22-13-11-21(12-14-22)23(25,20-9-5-3-6-10-20)15-18-24-16-7-4-8-17-24/h11-14,19-20,25H,3-10,15-18H2,1-2H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5492 kcal/mol

Physical Properties
Molecular Weight: 359.554 g/mol	logS: -4.88888	SlogP: 5.4292	Reactive groups: 0

Topological Properties
Globularity: 0.136889	Sterimol/B1: 2.00514	Sterimol/B2: 4.23785	Sterimol/B3: 4.85973
Sterimol/B4: 9.66815	Sterimol/L: 17.3297

Surface and Volume Properties
Accessible surface: 657.274	Positive charged surface: 515.03	Negative charged surface: 142.244	Volume: 386.375
Hydrophobic surface: 585.639	Hydrophilic surface: 71.635

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00448114
AURORAFEINCHEMIE-ZINC01242916