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MMsINC code: MMs02638351

Type: Neutral
Formula: C₁₁H₁₆NO₄P

SMILES:

P(O)(=O)(CCc1ccc(nc1)C)CCC(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6328 kcal/mol

Physical Properties
Molecular Weight: 257.226 g/mol	logS: 0.22598	SlogP: 0.60739	Reactive groups: 0

Topological Properties
Globularity: 0.0576891	Sterimol/B1: 2.55653	Sterimol/B2: 2.85238	Sterimol/B3: 4.54852
Sterimol/B4: 4.62779	Sterimol/L: 17.0863

Surface and Volume Properties
Accessible surface: 492.02	Positive charged surface: 310.379	Negative charged surface: 181.641	Volume: 235.625
Hydrophobic surface: 313.07	Hydrophilic surface: 178.95

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02638352
PUBCHEM-ZINC00196457