MMsINC Database Search


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MMsINC code: MMs02486907

Type: Neutral
Formula: C₂₉H₂₈O₄

SMILES:

O(C)c1ccccc1Cc1ccccc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C29H28O4/c1-31-25-16-12-23(13-17-25)29(30,24-14-18-26(32-2)19-15-24)27-10-6-4-8-21(27)20-22-9-5-7-11-28(22)33-3/h4-19,30H,20H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.315 kcal/mol

Physical Properties
Molecular Weight: 440.539 g/mol	logS: -6.64577	SlogP: 5.89887	Reactive groups: 0

Topological Properties
Globularity: 0.208656	Sterimol/B1: 2.54367	Sterimol/B2: 4.82991	Sterimol/B3: 5.29811
Sterimol/B4: 10.7568	Sterimol/L: 17.426

Surface and Volume Properties
Accessible surface: 711.126	Positive charged surface: 495.634	Negative charged surface: 215.493	Volume: 440.375
Hydrophobic surface: 681.939	Hydrophilic surface: 29.187

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.