MMsINC Database Search


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MMsINC code: MMs03254965

Type: Neutral
Formula: C₁₅H₂₆N₃O₇P

SMILES:

P(OCC)(OCC)(=O)c1ncn(c1N)C1OC(C2OC(OC12)(C)C)CO

InChI:

InChI=1/C15H26N3O7P/c1-5-21-26(20,22-6-2)13-12(16)18(8-17-13)14-11-10(9(7-19)23-14)24-15(3,4)25-11/h8-11,14,19H,5-7,16H2,1-4H3/t9-,10+,11-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.985 kcal/mol

Physical Properties
Molecular Weight: 391.361 g/mol	logS: -2.04546	SlogP: -0.2082	Reactive groups: 0

Topological Properties
Globularity: 0.173865	Sterimol/B1: 2.34957	Sterimol/B2: 3.71366	Sterimol/B3: 6.61882
Sterimol/B4: 7.9393	Sterimol/L: 14.8984

Surface and Volume Properties
Accessible surface: 654.474	Positive charged surface: 464.097	Negative charged surface: 190.377	Volume: 346.875
Hydrophobic surface: 402.05	Hydrophilic surface: 252.424

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.