MMsINC Database Search


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MMsINC code: MMs01270288

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(CC(=O)N1CCCC1)c1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C19H20N2O3/c22-18(21-12-6-7-13-21)14-24-17-11-5-4-10-16(17)19(23)20-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.428 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.02421	SlogP: 2.9401	Reactive groups: 0

Topological Properties
Globularity: 0.0209099	Sterimol/B1: 2.40749	Sterimol/B2: 2.86484	Sterimol/B3: 3.05966
Sterimol/B4: 9.62436	Sterimol/L: 17.2297

Surface and Volume Properties
Accessible surface: 599.946	Positive charged surface: 392.337	Negative charged surface: 207.61	Volume: 317.375
Hydrophobic surface: 532.606	Hydrophilic surface: 67.34

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.