MMsINC Database Search


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MMsINC code: MMs01221683

Type: Neutral
Formula: C₈H₁₂NO₂P

SMILES:

[PH](O)(=O)C(N)Cc1ccccc1

InChI:

InChI=1/C8H12NO2P/c9-8(12(10)11)6-7-4-2-1-3-5-7/h1-5,8,12H,6,9H2,(H,10,11)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.3469 kcal/mol

Physical Properties
Molecular Weight: 185.163 g/mol	logS: -1.02443	SlogP: -0.08933	Reactive groups: 0

Topological Properties
Globularity: 0.171322	Sterimol/B1: 3.16475	Sterimol/B2: 3.46997	Sterimol/B3: 3.48969
Sterimol/B4: 4.17653	Sterimol/L: 10.6672

Surface and Volume Properties
Accessible surface: 371.332	Positive charged surface: 212.081	Negative charged surface: 159.25	Volume: 171.625
Hydrophobic surface: 228.145	Hydrophilic surface: 143.187

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.