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MMsINC code: MMs03429853

Type: Neutral
Formula: C₁₇H₃₀N₂O₅

SMILES:

O(C(=O)C1N(CCC1)C(=O)C(CCCC)CC(=O)NO)C(C)(C)C

InChI:

InChI=1/C17H30N2O5/c1-5-6-8-12(11-14(20)18-23)15(21)19-10-7-9-13(19)16(22)24-17(2,3)4/h12-13,23H,5-11H2,1-4H3,(H,18,20)/t12-,13+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4704 kcal/mol

Physical Properties
Molecular Weight: 342.436 g/mol	logS: -3.19252	SlogP: 2.021	Reactive groups: 0

Topological Properties
Globularity: 0.0996953	Sterimol/B1: 2.55254	Sterimol/B2: 2.61845	Sterimol/B3: 4.86133
Sterimol/B4: 10.2538	Sterimol/L: 17.0043

Surface and Volume Properties
Accessible surface: 619.95	Positive charged surface: 445.69	Negative charged surface: 174.26	Volume: 340.5
Hydrophobic surface: 406.096	Hydrophilic surface: 213.854

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

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.