MMsINC Database Search


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MMsINC code: MMs02526207

Type: Neutral
Formula: C₁₁H₁₆NO₄P

SMILES:

P(O)(O)(=O)CC(NC(=O)Cc1ccccc1)C

InChI:

InChI=1/C11H16NO4P/c1-9(8-17(14,15)16)12-11(13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)(H2,14,15,16)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.232 kcal/mol

Physical Properties
Molecular Weight: 257.226 g/mol	logS: -1.25017	SlogP: -0.15873	Reactive groups: 0

Topological Properties
Globularity: 0.0810944	Sterimol/B1: 1.969	Sterimol/B2: 3.08851	Sterimol/B3: 3.94208
Sterimol/B4: 6.65131	Sterimol/L: 14.3361

Surface and Volume Properties
Accessible surface: 483.484	Positive charged surface: 284.225	Negative charged surface: 199.259	Volume: 235.125
Hydrophobic surface: 314.34	Hydrophilic surface: 169.144

Pharmacophoric Properties
Hydrogen bond donors: 4	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.