MMsINC Database Search


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MMsINC code: MMs03172010

Type: Neutral
Formula: C₂₈H₂₂O₂

SMILES:

Oc1ccc2c(cccc2)c1C(c1c2c(ccc1O)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C28H22O2/c1-18-10-12-21(13-11-18)26(27-22-8-4-2-6-19(22)14-16-24(27)29)28-23-9-5-3-7-20(23)15-17-25(28)30/h2-17,26,29-30H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.911 kcal/mol

Physical Properties
Molecular Weight: 390.482 g/mol	logS: -8.33605	SlogP: 6.89282	Reactive groups: 0

Topological Properties
Globularity: 0.216758	Sterimol/B1: 4.55388	Sterimol/B2: 4.80177	Sterimol/B3: 6.42883
Sterimol/B4: 7.16021	Sterimol/L: 14.6107

Surface and Volume Properties
Accessible surface: 611.485	Positive charged surface: 340.339	Negative charged surface: 261.638	Volume: 385.25
Hydrophobic surface: 577.629	Hydrophilic surface: 33.856

Pharmacophoric Properties
Hydrogen bond donors: 2	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.