MMsINC Database Search


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MMsINC code: MMs02329037

Type: Neutral
Formula: C₂₉H₃₅O₄P

SMILES:

P(Oc1ccccc1CC=C)(Oc1ccc(cc1)C(C)(C)C)(Oc1ccc(cc1)C(C)(C)C)=O

InChI:

InChI=1/C29H35O4P/c1-8-11-22-12-9-10-13-27(22)33-34(30,31-25-18-14-23(15-19-25)28(2,3)4)32-26-20-16-24(17-21-26)29(5,6)7/h8-10,12-21H,1,11H2,2-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.055 kcal/mol

Physical Properties
Molecular Weight: 478.569 g/mol	logS: -10.1695	SlogP: 7.58477	Reactive groups: 0

Topological Properties
Globularity: 0.108187	Sterimol/B1: 4.17243	Sterimol/B2: 4.25293	Sterimol/B3: 5.32827
Sterimol/B4: 8.61734	Sterimol/L: 18.8074

Surface and Volume Properties
Accessible surface: 767.17	Positive charged surface: 481.755	Negative charged surface: 285.416	Volume: 484.625
Hydrophobic surface: 600.452	Hydrophilic surface: 166.718

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.