MMsINC Database Search


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MMsINC code: MMs02423468

Type: Neutral
Formula: C₂₈H₂₄O₂

SMILES:

O1C(C(OC(C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C28H24O2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)30-28(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20,25-28H/t25-,26+,27-,28+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=217.497 kcal/mol

Physical Properties
Molecular Weight: 392.498 g/mol	logS: -7.09626	SlogP: 7.3804	Reactive groups: 0

Topological Properties
Globularity: 0.135183	Sterimol/B1: 2.32715	Sterimol/B2: 4.03325	Sterimol/B3: 4.08971
Sterimol/B4: 9.18969	Sterimol/L: 15.2932

Surface and Volume Properties
Accessible surface: 633.267	Positive charged surface: 363.921	Negative charged surface: 269.346	Volume: 396.375
Hydrophobic surface: 619.245	Hydrophilic surface: 14.022

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.