MMsINC Database Search


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MMsINC code: MMs01985803

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(CCCC(=O)Nc1ccc(OC)cc1)c1cc(ccc1C)C

InChI:

InChI=1/C19H23NO3/c1-14-6-7-15(2)18(13-14)23-12-4-5-19(21)20-16-8-10-17(22-3)11-9-16/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1332 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -4.20015	SlogP: 4.10974	Reactive groups: 0

Topological Properties
Globularity: 0.0134664	Sterimol/B1: 2.02866	Sterimol/B2: 2.84264	Sterimol/B3: 3.13148
Sterimol/B4: 7.58047	Sterimol/L: 20.9175

Surface and Volume Properties
Accessible surface: 632.823	Positive charged surface: 435.989	Negative charged surface: 196.834	Volume: 321
Hydrophobic surface: 579.372	Hydrophilic surface: 53.451

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.