MMsINC Database Search


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MMsINC code: MMs03542784

Type: Neutral
Formula: C₂₅H₂₁O₄P

SMILES:

P(Oc1ccc(cc1)Cc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)=O

InChI:

InChI=1/C25H21O4P/c26-30(27-23-12-6-2-7-13-23,28-24-14-8-3-9-15-24)29-25-18-16-22(17-19-25)20-21-10-4-1-5-11-21/h1-19H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.186 kcal/mol

Physical Properties
Molecular Weight: 416.413 g/mol	logS: -7.08856	SlogP: 5.85207	Reactive groups: 0

Topological Properties
Globularity: 0.0414076	Sterimol/B1: 2.20863	Sterimol/B2: 4.91951	Sterimol/B3: 6.07844
Sterimol/B4: 6.13291	Sterimol/L: 18.7216

Surface and Volume Properties
Accessible surface: 668.124	Positive charged surface: 356.452	Negative charged surface: 311.673	Volume: 395.875
Hydrophobic surface: 623.02	Hydrophilic surface: 45.104

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.