MMsINC Database Search


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MMsINC code: MMs02518130

Type: Neutral
Formula: C₂₄H₃₀O₃

SMILES:

O1CCc2c3CCOCCc4cc(CC1)cc(CCOCCc(c2)cc3)c4

InChI:

InChI=1/C24H30O3/c1-2-23-7-13-26-11-5-21-15-20-4-10-25-9-3-19(1)18-24(23)8-14-27-12-6-22(16-20)17-21/h1-2,15-18H,3-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.44 kcal/mol

Physical Properties
Molecular Weight: 366.501 g/mol	logS: -4.115	SlogP: 3.71862	Reactive groups: 0

Topological Properties
Globularity: 0.510787	Sterimol/B1: 3.41987	Sterimol/B2: 4.90402	Sterimol/B3: 5.06047
Sterimol/B4: 7.71969	Sterimol/L: 11.1655

Surface and Volume Properties
Accessible surface: 536.229	Positive charged surface: 412.037	Negative charged surface: 124.192	Volume: 375.375
Hydrophobic surface: 522.196	Hydrophilic surface: 14.033

Pharmacophoric Properties
Hydrogen bond donors: 0	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.