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MMsINC code: MMs01505889

Type: Neutral
Formula: C₂₃H₂₇NO₄

SMILES:

O(C(=O)C(O)(c1ccccc1)c1ccccc1)CC(=O)NC1CCCCCC1

InChI:

InChI=1/C23H27NO4/c25-21(24-20-15-9-1-2-10-16-20)17-28-22(26)23(27,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,27H,1-2,9-10,15-17H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.092 kcal/mol

Physical Properties
Molecular Weight: 381.472 g/mol	logS: -5.4909	SlogP: 3.6162	Reactive groups: 0

Topological Properties
Globularity: 0.0833939	Sterimol/B1: 2.52611	Sterimol/B2: 3.7892	Sterimol/B3: 4.0595
Sterimol/B4: 8.98111	Sterimol/L: 18.3746

Surface and Volume Properties
Accessible surface: 681.631	Positive charged surface: 435.999	Negative charged surface: 245.632	Volume: 378.875
Hydrophobic surface: 591.559	Hydrophilic surface: 90.072

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.