MMsINC Database Search


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MMsINC code: MMs00283739

Type: Neutral
Formula: C₂₃H₂₈O₄

SMILES:

O(CCCCCCCOc1ccc(cc1)C(=O)C)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C23H28O4/c1-18(24)20-8-12-22(13-9-20)26-16-6-4-3-5-7-17-27-23-14-10-21(11-15-23)19(2)25/h8-15H,3-7,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4731 kcal/mol

Physical Properties
Molecular Weight: 368.473 g/mol	logS: -5.22682	SlogP: 5.5001	Reactive groups: 0

Topological Properties
Globularity: 0.00568237	Sterimol/B1: 1.969	Sterimol/B2: 2.37795	Sterimol/B3: 2.51081
Sterimol/B4: 6.78624	Sterimol/L: 25.2717

Surface and Volume Properties
Accessible surface: 736.891	Positive charged surface: 470.607	Negative charged surface: 266.284	Volume: 379
Hydrophobic surface: 641.852	Hydrophilic surface: 95.039

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.