MMsINC Database Search


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MMsINC code: MMs02642049

Type: Neutral
Formula: C₁₇H₂₄N₂O₅

SMILES:

O(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCC(OC)OC

InChI:

InChI=1/C17H24N2O5/c1-22-15(23-2)11-18-16(20)14-9-6-10-19(14)17(21)24-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H,18,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0864 kcal/mol

Physical Properties
Molecular Weight: 336.388 g/mol	logS: -2.3928	SlogP: 1.7891	Reactive groups: 0

Topological Properties
Globularity: 0.0520978	Sterimol/B1: 3.33802	Sterimol/B2: 4.14828	Sterimol/B3: 4.43043
Sterimol/B4: 5.66995	Sterimol/L: 19.1103

Surface and Volume Properties
Accessible surface: 647.992	Positive charged surface: 486.103	Negative charged surface: 161.889	Volume: 327.75
Hydrophobic surface: 571.474	Hydrophilic surface: 76.518

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.