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MMsINC code: MMs02630367

Type: Neutral
Formula: C₁₂H₁₉N₂O₃P

SMILES:

P(O)(=O)(CCc1ncccc1)CN1CCOCC1

InChI:

InChI=1/C12H19N2O3P/c15-18(16,11-14-6-8-17-9-7-14)10-4-12-3-1-2-5-13-12/h1-3,5H,4,6-11H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4807 kcal/mol

Physical Properties
Molecular Weight: 270.269 g/mol	logS: 0.36934	SlogP: 0.11397	Reactive groups: 0

Topological Properties
Globularity: 0.0479548	Sterimol/B1: 2.61617	Sterimol/B2: 3.05215	Sterimol/B3: 4.35661
Sterimol/B4: 4.81654	Sterimol/L: 16.2205

Surface and Volume Properties
Accessible surface: 507.111	Positive charged surface: 381.147	Negative charged surface: 125.963	Volume: 256.625
Hydrophobic surface: 423.354	Hydrophilic surface: 83.757

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02630368
PUBCHEM-ZINC00051314