MMsINC Database Search


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MMsINC code: MMs03524600

Type: Neutral
Formula: C₂₅H₂₉O₄P

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=249.788 kcal/mol

Physical Properties
Molecular Weight: 424.477 g/mol	logS: -6.40892	SlogP: 6.42024	Reactive groups: 0

Topological Properties
Globularity: 0.219808	Sterimol/B1: 3.34265	Sterimol/B2: 3.42301	Sterimol/B3: 6.16888
Sterimol/B4: 6.68694	Sterimol/L: 15.6188

Surface and Volume Properties
Accessible surface: 606.51	Positive charged surface: 387.247	Negative charged surface: 219.263	Volume: 405
Hydrophobic surface: 591.052	Hydrophilic surface: 15.458

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.