MMsINC Database Search


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MMsINC code: MMs00537791

Type: Neutral
Formula: C₁₉H₂₅NO₄

SMILES:

O(C(=O)CNC(=O)C1CCCCC1)CC(=O)c1ccc(cc1)CC

InChI:

InChI=1/C19H25NO4/c1-2-14-8-10-15(11-9-14)17(21)13-24-18(22)12-20-19(23)16-6-4-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6824 kcal/mol

Physical Properties
Molecular Weight: 331.412 g/mol	logS: -5.11419	SlogP: 2.67137	Reactive groups: 1

Topological Properties
Globularity: 0.0154455	Sterimol/B1: 2.27576	Sterimol/B2: 2.87699	Sterimol/B3: 3.76945
Sterimol/B4: 5.75916	Sterimol/L: 21.5431

Surface and Volume Properties
Accessible surface: 638.658	Positive charged surface: 434.845	Negative charged surface: 203.814	Volume: 332.25
Hydrophobic surface: 494.768	Hydrophilic surface: 143.89

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.