MMsINC Database Search


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MMsINC code: MMs00891817

Type: Neutral
Formula: C₁₇H₂₄N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCCCOC

InChI:

InChI=1/C17H24N2O4/c1-22-12-6-10-18-16(20)15-9-5-11-19(15)17(21)23-13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,18,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0059 kcal/mol

Physical Properties
Molecular Weight: 320.389 g/mol	logS: -2.5712	SlogP: 2.2067	Reactive groups: 0

Topological Properties
Globularity: 0.0400934	Sterimol/B1: 2.50056	Sterimol/B2: 3.54865	Sterimol/B3: 3.66544
Sterimol/B4: 7.84411	Sterimol/L: 20.5859

Surface and Volume Properties
Accessible surface: 638.018	Positive charged surface: 477.461	Negative charged surface: 160.556	Volume: 322.875
Hydrophobic surface: 562.932	Hydrophilic surface: 75.086

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.