MMsINC Database Search


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MMsINC code: MMs01822291

Type: Neutral
Formula: C₁₇H₃₀NO₄P

SMILES:

P(OCC(C)C)(OCC(C)C)(=O)C(O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C17H30NO4P/c1-13(2)11-21-23(20,22-12-14(3)4)17(19)15-7-9-16(10-8-15)18(5)6/h7-10,13-14,17,19H,11-12H2,1-6H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2174 kcal/mol

Physical Properties
Molecular Weight: 343.404 g/mol	logS: -2.44638	SlogP: 3.3071	Reactive groups: 0

Topological Properties
Globularity: 0.0717949	Sterimol/B1: 3.40217	Sterimol/B2: 3.69834	Sterimol/B3: 4.22914
Sterimol/B4: 7.9926	Sterimol/L: 17.2372

Surface and Volume Properties
Accessible surface: 637.759	Positive charged surface: 475.496	Negative charged surface: 162.264	Volume: 349.125
Hydrophobic surface: 496.638	Hydrophilic surface: 141.121

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.