MMsINC Database Search


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MMsINC code: MMs02345788

Type: Neutral
Formula: C₉H₁₄NO₃P

SMILES:

P(O)(O)(=O)C(N(C)C)c1ccccc1

InChI:

InChI=1/C9H14NO3P/c1-10(2)9(14(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H2,11,12,13)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0327 kcal/mol

Physical Properties
Molecular Weight: 215.189 g/mol	logS: -0.46754	SlogP: 0.4498	Reactive groups: 0

Topological Properties
Globularity: 0.205125	Sterimol/B1: 2.37759	Sterimol/B2: 2.72617	Sterimol/B3: 4.48694
Sterimol/B4: 6.84991	Sterimol/L: 10.8513

Surface and Volume Properties
Accessible surface: 400.287	Positive charged surface: 273.385	Negative charged surface: 126.902	Volume: 198.375
Hydrophobic surface: 287.616	Hydrophilic surface: 112.671

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.