MMsINC Database Search


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MMsINC code: MMs02022514

Type: Neutral
Formula: C₈H₁₂NO₄P

SMILES:

P(OC)(OC)(=O)C(O)c1cccnc1

InChI:

InChI=1/C8H12NO4P/c1-12-14(11,13-2)8(10)7-4-3-5-9-6-7/h3-6,8,10H,1-2H3/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5569 kcal/mol

Physical Properties
Molecular Weight: 217.161 g/mol	logS: 0.20067	SlogP: 0.5837	Reactive groups: 0

Topological Properties
Globularity: 0.112212	Sterimol/B1: 2.5059	Sterimol/B2: 2.85265	Sterimol/B3: 3.83288
Sterimol/B4: 6.44612	Sterimol/L: 12.3611

Surface and Volume Properties
Accessible surface: 399.189	Positive charged surface: 301.939	Negative charged surface: 97.2493	Volume: 190.625
Hydrophobic surface: 311.985	Hydrophilic surface: 87.204

Pharmacophoric Properties
Hydrogen bond donors: 1	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.