MMsINC Database Search


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MMsINC code: MMs02292970

Type: Neutral
Formula: C₂₆H₂₂O₂

SMILES:

OC1(c2c3c(cccc3ccc2)C1(O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C26H22O2/c1-17-9-13-20(14-10-17)25(27)22-7-3-5-19-6-4-8-23(24(19)22)26(25,28)21-15-11-18(2)12-16-21/h3-16,27-28H,1-2H3/t25-,26+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.845 kcal/mol

Physical Properties
Molecular Weight: 366.46 g/mol	logS: -7.43728	SlogP: 5.56504	Reactive groups: 0

Topological Properties
Globularity: 0.237351	Sterimol/B1: 2.19836	Sterimol/B2: 2.72171	Sterimol/B3: 5.56173
Sterimol/B4: 8.11882	Sterimol/L: 13.0785

Surface and Volume Properties
Accessible surface: 580.313	Positive charged surface: 358.184	Negative charged surface: 215.87	Volume: 369.75
Hydrophobic surface: 520.822	Hydrophilic surface: 59.491

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.