MMsINC Database Search


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MMsINC code: MMs00615526

Type: Ionized
Formula: C₁₁H₁₇NO₂P-

SMILES:

P(=O)([O-])(CCc1ccccc1)CN(C)C

InChI:

InChI=1/C11H18NO2P/c1-12(2)10-15(13,14)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2506 kcal/mol

Physical Properties
Molecular Weight: 226.236 g/mol	logS: -0.51592	SlogP: 0.31637	Reactive groups: 0

Topological Properties
Globularity: 0.0750024	Sterimol/B1: 2.89803	Sterimol/B2: 3.62199	Sterimol/B3: 3.83117
Sterimol/B4: 4.74486	Sterimol/L: 14.8661

Surface and Volume Properties
Accessible surface: 462.619	Positive charged surface: 308.443	Negative charged surface: 154.176	Volume: 226
Hydrophobic surface: 402.471	Hydrophilic surface: 60.148

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 0

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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Parent related molecule:

MMs00615525
CHEMBRIDGE-ZINC00439259