MMsINC Database Search


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MMsINC code: MMs03523508

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)(Oc1cc(ccc1C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=191.753 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -6.24845	SlogP: 6.11182	Reactive groups: 0

Topological Properties
Globularity: 0.213466	Sterimol/B1: 2.2511	Sterimol/B2: 3.44959	Sterimol/B3: 5.19196
Sterimol/B4: 11.2955	Sterimol/L: 13.6844

Surface and Volume Properties
Accessible surface: 591.489	Positive charged surface: 360.099	Negative charged surface: 231.39	Volume: 393.625
Hydrophobic surface: 565.844	Hydrophilic surface: 25.645

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.