MMsINC Database Search


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MMsINC code: MMs00321954

Type: Neutral
Formula: C₂₄H₃₂O₄

SMILES:

O(C(=O)CCCCCC)c1cc2c(cc(OC(=O)CCCCCC)cc2)cc1

InChI:

InChI=1/C24H32O4/c1-3-5-7-9-11-23(25)27-21-15-13-20-18-22(16-14-19(20)17-21)28-24(26)12-10-8-6-4-2/h13-18H,3-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2094 kcal/mol

Physical Properties
Molecular Weight: 384.516 g/mol	logS: -8.4951	SlogP: 6.5914	Reactive groups: 0

Topological Properties
Globularity: 0.0231708	Sterimol/B1: 2.1865	Sterimol/B2: 4.19617	Sterimol/B3: 4.2887
Sterimol/B4: 7.85537	Sterimol/L: 25.8466

Surface and Volume Properties
Accessible surface: 784.659	Positive charged surface: 546.804	Negative charged surface: 225.413	Volume: 408.25
Hydrophobic surface: 671.925	Hydrophilic surface: 112.734

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.