MMsINC Database Search


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MMsINC code: MMs02344126

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1ccc(cc1C)C)(Oc1ccc(cc1C)C)(Oc1ccc(cc1C)C)=O

InChI:

InChI=1/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)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)=108.081 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -6.87535	SlogP: 6.11182	Reactive groups: 0

Topological Properties
Globularity: 0.207724	Sterimol/B1: 2.54179	Sterimol/B2: 6.06657	Sterimol/B3: 6.49572
Sterimol/B4: 6.55692	Sterimol/L: 16.3551

Surface and Volume Properties
Accessible surface: 675.29	Positive charged surface: 413.476	Negative charged surface: 261.815	Volume: 403.625
Hydrophobic surface: 658.66	Hydrophilic surface: 16.63

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.