MMsINC Database Search


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MMsINC code: MMs03459711

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1cc(ccc1)CC)(Oc1cc(ccc1)CC)(Oc1cc(ccc1)CC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6879 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -7.9396	SlogP: 5.94841	Reactive groups: 0

Topological Properties
Globularity: 0.0687358	Sterimol/B1: 3.31495	Sterimol/B2: 4.15094	Sterimol/B3: 5.08276
Sterimol/B4: 8.13007	Sterimol/L: 17.5262

Surface and Volume Properties
Accessible surface: 680.669	Positive charged surface: 407.366	Negative charged surface: 273.303	Volume: 404.25
Hydrophobic surface: 568.443	Hydrophilic surface: 112.226

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.