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MMsINC code: MMs03257352

Type: Neutral
Formula: C₁₀H₁₄NO₄P

SMILES:

P(O)(=O)(CCc1ncccc1)CCC(O)=O

InChI:

InChI=1/C10H14NO4P/c12-10(13)5-8-16(14,15)7-4-9-3-1-2-6-11-9/h1-3,6H,4-5,7-8H2,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.33556 kcal/mol

Physical Properties
Molecular Weight: 243.199 g/mol	logS: 0.38645	SlogP: 0.29897	Reactive groups: 0

Topological Properties
Globularity: 0.0620099	Sterimol/B1: 2.097	Sterimol/B2: 3.43846	Sterimol/B3: 4.36481
Sterimol/B4: 4.65	Sterimol/L: 15.9433

Surface and Volume Properties
Accessible surface: 464.198	Positive charged surface: 289.609	Negative charged surface: 174.589	Volume: 216.75
Hydrophobic surface: 290.301	Hydrophilic surface: 173.897

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

MMs03257353
PUBCHEM-ZINC05395285