MMsINC Database Search


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MMsINC code: MMs02325302

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1cccc(C)c1C)(Oc1cccc(C)c1C)(Oc1cccc(C)c1C)=O

InChI:

InChI=1/C24H27O4P/c1-16-10-7-13-22(19(16)4)26-29(25,27-23-14-8-11-17(2)20(23)5)28-24-15-9-12-18(3)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)=149.725 kcal/mol

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

Topological Properties
Globularity: 0.143072	Sterimol/B1: 2.13453	Sterimol/B2: 4.27637	Sterimol/B3: 4.65952
Sterimol/B4: 9.28536	Sterimol/L: 15.8768

Surface and Volume Properties
Accessible surface: 622.679	Positive charged surface: 384.614	Negative charged surface: 238.065	Volume: 398.625
Hydrophobic surface: 596.469	Hydrophilic surface: 26.21

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.