MMsINC Database Search


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MMsINC code: MMs03034090

Type: Neutral
Formula: C₄H₁₀NO₅PS

SMILES:

S(CC(N)C(O)=O)CP(O)(O)=O

InChI:

InChI=1/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.72736 kcal/mol

Physical Properties
Molecular Weight: 215.166 g/mol	logS: 0.6944	SlogP: -1.8035	Reactive groups: 0

Topological Properties
Globularity: 0.0870581	Sterimol/B1: 2.72084	Sterimol/B2: 3.47215	Sterimol/B3: 3.76127
Sterimol/B4: 4.19532	Sterimol/L: 11.4854

Surface and Volume Properties
Accessible surface: 377.119	Positive charged surface: 213.443	Negative charged surface: 163.676	Volume: 162.625
Hydrophobic surface: 75.908	Hydrophilic surface: 301.211

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

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Ions/Tautomers related molecules: no related molecules available.