MMsINC Database Search


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MMsINC code: MMs03523520

Type: Neutral
Formula: C₂₅H₂₉O₄P

SMILES:

P(Oc1c(cc(cc1C)C)C)(Oc1c(cccc1C)C)(Oc1cc(ccc1C)C)=O

InChI:

InChI=1/C25H29O4P/c1-16-11-12-18(3)23(15-16)27-30(26,28-24-19(4)9-8-10-20(24)5)29-25-21(6)13-17(2)14-22(25)7/h8-15H,1-7H3/t30-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.77 kcal/mol

Physical Properties
Molecular Weight: 424.477 g/mol	logS: -6.72237	SlogP: 6.42024	Reactive groups: 0

Topological Properties
Globularity: 0.216811	Sterimol/B1: 2.73067	Sterimol/B2: 5.12963	Sterimol/B3: 6.07172
Sterimol/B4: 6.73744	Sterimol/L: 15.9045

Surface and Volume Properties
Accessible surface: 643.04	Positive charged surface: 410.816	Negative charged surface: 232.224	Volume: 419.875
Hydrophobic surface: 629.013	Hydrophilic surface: 14.027

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.