MMsINC Database Search


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MMsINC code: MMs03349021

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1ccc(cc1)CC)(Oc1ccc(cc1)CC)(Oc1ccc(cc1)CC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.416 kcal/mol

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

Topological Properties
Globularity: 0.0696983	Sterimol/B1: 2.51828	Sterimol/B2: 2.75429	Sterimol/B3: 4.58128
Sterimol/B4: 11.0963	Sterimol/L: 18.0702

Surface and Volume Properties
Accessible surface: 696.264	Positive charged surface: 420.005	Negative charged surface: 276.258	Volume: 403.625
Hydrophobic surface: 577.874	Hydrophilic surface: 118.39

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.