MMsINC Database Search


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MMsINC code: MMs03005295

Type: Neutral
Formula: C₉H₁₅NO₆P₂

SMILES:

P(O)(O)(=O)CN(Cc1ccccc1)CP(O)(O)=O

InChI:

InChI=1/C9H15NO6P2/c11-17(12,13)7-10(8-18(14,15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,13)(H2,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.67466 kcal/mol

Physical Properties
Molecular Weight: 295.168 g/mol	logS: 0.67171	SlogP: -1.115	Reactive groups: 0

Topological Properties
Globularity: 0.212587	Sterimol/B1: 3.10316	Sterimol/B2: 3.87398	Sterimol/B3: 4.24129
Sterimol/B4: 6.64091	Sterimol/L: 12.6664

Surface and Volume Properties
Accessible surface: 466.475	Positive charged surface: 265.09	Negative charged surface: 201.384	Volume: 237.75
Hydrophobic surface: 229.701	Hydrophilic surface: 236.774

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.