MMsINC Database Search


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MMsINC code: MMs02274856

Type: Neutral
Formula: C₂₆H₂₈O₂

SMILES:

O(C)c1ccc(cc1)C(C(C(=O)c1c(cc(cc1C)C)C)C)c1ccccc1

InChI:

InChI=1/C26H28O2/c1-17-15-18(2)24(19(3)16-17)26(27)20(4)25(21-9-7-6-8-10-21)22-11-13-23(28-5)14-12-22/h6-16,20,25H,1-5H3/t20-,25+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.53 kcal/mol

Physical Properties
Molecular Weight: 372.508 g/mol	logS: -6.71745	SlogP: 6.27136	Reactive groups: 0

Topological Properties
Globularity: 0.180335	Sterimol/B1: 3.69632	Sterimol/B2: 5.64219	Sterimol/B3: 5.93549
Sterimol/B4: 7.15176	Sterimol/L: 14.8514

Surface and Volume Properties
Accessible surface: 630.474	Positive charged surface: 398.352	Negative charged surface: 232.121	Volume: 392.375
Hydrophobic surface: 590.339	Hydrophilic surface: 40.135

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.