MMsINC Database Search


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MMsINC code: MMs02283223

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1ccccc1CC)(Oc1ccccc1CC)(Oc1ccccc1CC)=O

InChI:

InChI=1/C24H27O4P/c1-4-19-13-7-10-16-22(19)26-29(25,27-23-17-11-8-14-20(23)5-2)28-24-18-12-9-15-21(24)6-3/h7-18H,4-6H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2649 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -6.99925	SlogP: 5.94841	Reactive groups: 0

Topological Properties
Globularity: 0.206627	Sterimol/B1: 2.33281	Sterimol/B2: 3.12674	Sterimol/B3: 5.14897
Sterimol/B4: 10.1156	Sterimol/L: 13.3492

Surface and Volume Properties
Accessible surface: 596.297	Positive charged surface: 371.953	Negative charged surface: 224.344	Volume: 405.75
Hydrophobic surface: 542.959	Hydrophilic surface: 53.338

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: 1

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Ions/Tautomers related molecules: no related molecules available.