MMsINC Database Search


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MMsINC code: MMs00722053

Type: Neutral
Formula: C₁₁H₂₇NO₄P₂

SMILES:

P(=O)(CC)(CC)C(P(OCC)(OCC)=O)N(C)C

InChI:

InChI=1/C11H27NO4P2/c1-7-15-18(14,16-8-2)11(12(5)6)17(13,9-3)10-4/h11H,7-10H2,1-6H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0093 kcal/mol

Physical Properties
Molecular Weight: 299.288 g/mol	logS: 0.23368	SlogP: 1.3602	Reactive groups: 0

Topological Properties
Globularity: 0.197812	Sterimol/B1: 2.21259	Sterimol/B2: 3.63095	Sterimol/B3: 4.77294
Sterimol/B4: 8.08928	Sterimol/L: 14.18

Surface and Volume Properties
Accessible surface: 510.201	Positive charged surface: 374.598	Negative charged surface: 135.604	Volume: 290
Hydrophobic surface: 383.581	Hydrophilic surface: 126.62

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.