MMsINC Database Search


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MMsINC code: MMs03133872

Type: Neutral
Formula: C₂₆H₃₄O₄

SMILES:

O(C(=O)CCc1ccc(cc1)CCCCCCc1ccc(cc1)CCC(OC)=O)C

InChI:

InChI=1/C26H34O4/c1-29-25(27)19-17-23-13-9-21(10-14-23)7-5-3-4-6-8-22-11-15-24(16-12-22)18-20-26(28)30-2/h9-16H,3-8,17-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8023 kcal/mol

Physical Properties
Molecular Weight: 410.554 g/mol	logS: -6.5873	SlogP: 5.24328	Reactive groups: 1

Topological Properties
Globularity: 0.0126904	Sterimol/B1: 3.21781	Sterimol/B2: 3.40701	Sterimol/B3: 3.61721
Sterimol/B4: 3.62128	Sterimol/L: 30.6254

Surface and Volume Properties
Accessible surface: 821.363	Positive charged surface: 591.932	Negative charged surface: 229.431	Volume: 440.375
Hydrophobic surface: 734.175	Hydrophilic surface: 87.188

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.