MMsINC Database Search


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MMsINC code: MMs02322175

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1cc(cc(c1)C)C)(Oc1cc(cc(c1)C)C)(Oc1ccc(cc1)CC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5515 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -7.857	SlogP: 6.05735	Reactive groups: 0

Topological Properties
Globularity: 0.0743321	Sterimol/B1: 3.3003	Sterimol/B2: 4.45665	Sterimol/B3: 6.14847
Sterimol/B4: 6.98194	Sterimol/L: 17.5223

Surface and Volume Properties
Accessible surface: 685.858	Positive charged surface: 402.412	Negative charged surface: 283.446	Volume: 406
Hydrophobic surface: 619.271	Hydrophilic surface: 66.587

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.