MMsINC Database Search


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MMsINC code: MMs00286241

Type: Neutral
Formula: C₂₇H₂₂O₃

SMILES:

O1c2c(C=CC1(c1ccc(OC)cc1)c1ccc(OC)cc1)ccc1c2cccc1

InChI:

InChI=1/C27H22O3/c1-28-23-13-9-21(10-14-23)27(22-11-15-24(29-2)16-12-22)18-17-20-8-7-19-5-3-4-6-25(19)26(20)30-27/h3-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.482 kcal/mol

Physical Properties
Molecular Weight: 394.47 g/mol	logS: -7.57792	SlogP: 6.5179	Reactive groups: 0

Topological Properties
Globularity: 0.209276	Sterimol/B1: 2.41524	Sterimol/B2: 3.91381	Sterimol/B3: 6.16159
Sterimol/B4: 10.649	Sterimol/L: 16.8785

Surface and Volume Properties
Accessible surface: 656.679	Positive charged surface: 417.077	Negative charged surface: 231.342	Volume: 391.375
Hydrophobic surface: 629.663	Hydrophilic surface: 27.016

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.