MMsINC Database Search


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MMsINC code: MMs02980881

Type: Neutral
Formula: C₁₇H₂₆N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCC(=O)NC(CC)C

InChI:

InChI=1/C17H26N2O5/c1-6-11(2)19-15(20)7-8-18-17(21)12-9-13(22-3)16(24-5)14(10-12)23-4/h9-11H,6-8H2,1-5H3,(H,18,21)(H,19,20)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1071 kcal/mol

Physical Properties
Molecular Weight: 338.404 g/mol	logS: -2.59283	SlogP: 1.747	Reactive groups: 0

Topological Properties
Globularity: 0.03591	Sterimol/B1: 2.17313	Sterimol/B2: 4.82673	Sterimol/B3: 5.43399
Sterimol/B4: 6.10911	Sterimol/L: 18.9538

Surface and Volume Properties
Accessible surface: 646.897	Positive charged surface: 513.92	Negative charged surface: 132.977	Volume: 333.75
Hydrophobic surface: 506.792	Hydrophilic surface: 140.105

Pharmacophoric Properties
Hydrogen bond donors: 2	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.