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MMsINC code: MMs01623486

Type: Neutral
Formula: C₁₈H₂₅NO₄

SMILES:

O(CCC(OCC(=O)N1CCCCC1CC)=O)c1ccccc1

InChI:

InChI=1/C18H25NO4/c1-2-15-8-6-7-12-19(15)17(20)14-23-18(21)11-13-22-16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6328 kcal/mol

Physical Properties
Molecular Weight: 319.401 g/mol	logS: -3.07506	SlogP: 2.7898	Reactive groups: 1

Topological Properties
Globularity: 0.016953	Sterimol/B1: 2.54901	Sterimol/B2: 3.04296	Sterimol/B3: 3.23706
Sterimol/B4: 7.52719	Sterimol/L: 19.2346

Surface and Volume Properties
Accessible surface: 619.574	Positive charged surface: 431.763	Negative charged surface: 187.811	Volume: 320
Hydrophobic surface: 528.928	Hydrophilic surface: 90.646

Pharmacophoric Properties
Hydrogen bond donors: 0	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.