MMsINC Database Search


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MMsINC code: MMs02235980

Type: Neutral
Formula: C₁₅H₂₅N₂O₄P

SMILES:

P(Oc1ccccc1C(OCCCC)=O)(=O)(N(C)C)N(C)C

InChI:

InChI=1/C15H25N2O4P/c1-6-7-12-20-15(18)13-10-8-9-11-14(13)21-22(19,16(2)3)17(4)5/h8-11H,6-7,12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8527 kcal/mol

Physical Properties
Molecular Weight: 328.349 g/mol	logS: -2.03057	SlogP: 2.1834	Reactive groups: 0

Topological Properties
Globularity: 0.115773	Sterimol/B1: 3.29626	Sterimol/B2: 4.09568	Sterimol/B3: 4.64542
Sterimol/B4: 7.65809	Sterimol/L: 15.7293

Surface and Volume Properties
Accessible surface: 572.416	Positive charged surface: 446.511	Negative charged surface: 125.905	Volume: 316.75
Hydrophobic surface: 506.212	Hydrophilic surface: 66.204

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.