MMsINC Database Search


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MMsINC code: MMs03882678

Type: Neutral
Formula: C₇H₁₀NO₂P

SMILES:

[PH](O)(=O)C(N)c1ccccc1

InChI:

InChI=1/C7H10NO2P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7,11H,8H2,(H,9,10)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6868 kcal/mol

Physical Properties
Molecular Weight: 171.136 g/mol	logS: -0.96296	SlogP: 0.1362	Reactive groups: 0

Topological Properties
Globularity: 0.175021	Sterimol/B1: 3.09118	Sterimol/B2: 3.49866	Sterimol/B3: 3.56152
Sterimol/B4: 3.72749	Sterimol/L: 11.0857

Surface and Volume Properties
Accessible surface: 351.931	Positive charged surface: 181.19	Negative charged surface: 170.74	Volume: 155.375
Hydrophobic surface: 210.424	Hydrophilic surface: 141.507

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.