MMsINC Database Search


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MMsINC code: MMs03086514

Type: Neutral
Formula: C₈H₁₀NO₅P

SMILES:

P(O)(O)(=O)c1ccc(cc1)C(N)C(O)=O

InChI:

InChI=1/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.10596 kcal/mol

Physical Properties
Molecular Weight: 231.144 g/mol	logS: -0.40564	SlogP: -1.4007	Reactive groups: 0

Topological Properties
Globularity: 0.115559	Sterimol/B1: 2.41761	Sterimol/B2: 2.713	Sterimol/B3: 4.02608
Sterimol/B4: 4.714	Sterimol/L: 11.6902

Surface and Volume Properties
Accessible surface: 407.43	Positive charged surface: 215.799	Negative charged surface: 191.632	Volume: 184.75
Hydrophobic surface: 130.531	Hydrophilic surface: 276.899

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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

search links for this molecule:

Ions/Tautomers related molecules

MMs03086515
PUBCHEM-ZINC03995880