MMsINC Database Search


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MMsINC code: MMs03522600

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1c(cc(cc1C)C)C)(Oc1c(cc(cc1C)C)C)(Oc1ccccc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.599 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -6.5619	SlogP: 6.11182	Reactive groups: 0

Topological Properties
Globularity: 0.198496	Sterimol/B1: 4.22038	Sterimol/B2: 4.8515	Sterimol/B3: 5.02228
Sterimol/B4: 5.54889	Sterimol/L: 16.8958

Surface and Volume Properties
Accessible surface: 631.604	Positive charged surface: 385.134	Negative charged surface: 246.47	Volume: 402.25
Hydrophobic surface: 616.36	Hydrophilic surface: 15.244

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.