MMsINC Database Search


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MMsINC code: MMs00733575

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(CCCCCOc1cc(cc(C)c1C)C)c1cc(cc(C)c1C)C

InChI:

InChI=1/C23H32O2/c1-16-12-18(3)20(5)22(14-16)24-10-8-7-9-11-25-23-15-17(2)13-19(4)21(23)6/h12-15H,7-11H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6575 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -6.10191	SlogP: 6.16522	Reactive groups: 0

Topological Properties
Globularity: 0.00909034	Sterimol/B1: 1.969	Sterimol/B2: 2.51246	Sterimol/B3: 2.51843
Sterimol/B4: 7.74746	Sterimol/L: 21.6099

Surface and Volume Properties
Accessible surface: 719.086	Positive charged surface: 499.629	Negative charged surface: 219.457	Volume: 379.875
Hydrophobic surface: 717.313	Hydrophilic surface: 1.773

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: 1

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Ions/Tautomers related molecules: no related molecules available.