MMsINC Database Search


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MMsINC code: MMs03539493

Type: Neutral
Formula: C₇H₁₀NO₄P

SMILES:

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

InChI:

InChI=1/C7H10NO4P/c8-7(13(10,11)12)5-1-3-6(9)4-2-5/h1-4,7,9H,8H2,(H2,10,11,12)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.1981 kcal/mol

Physical Properties
Molecular Weight: 203.134 g/mol	logS: 0.10094	SlogP: -0.4475	Reactive groups: 0

Topological Properties
Globularity: 0.156389	Sterimol/B1: 2.30687	Sterimol/B2: 2.66103	Sterimol/B3: 4.5189
Sterimol/B4: 4.74705	Sterimol/L: 11.7139

Surface and Volume Properties
Accessible surface: 373.678	Positive charged surface: 217.896	Negative charged surface: 155.782	Volume: 169.125
Hydrophobic surface: 145.992	Hydrophilic surface: 227.686

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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.