MMsINC Database Search


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MMsINC code: MMs03438111

Type: Neutral
Formula: C₁₅H₂₆NO₃P

SMILES:

P(OCC)(OCC)(=O)C(NC(C)(C)C)c1ccccc1

InChI:

InChI=1/C15H26NO3P/c1-6-18-20(17,19-7-2)14(16-15(3,4)5)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.495 kcal/mol

Physical Properties
Molecular Weight: 299.351 g/mol	logS: -2.663	SlogP: 3.3647	Reactive groups: 0

Topological Properties
Globularity: 0.211557	Sterimol/B1: 3.4286	Sterimol/B2: 4.33002	Sterimol/B3: 5.60661
Sterimol/B4: 7.26086	Sterimol/L: 13.6295

Surface and Volume Properties
Accessible surface: 548.497	Positive charged surface: 375.503	Negative charged surface: 172.993	Volume: 306.25
Hydrophobic surface: 435.813	Hydrophilic surface: 112.684

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.