MMsINC Database Search


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MMsINC code: MMs02537090

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O1c2c(-c3nc(NC(=O)C(CC)CC)cc(c3C1=O)C)cccc2

InChI:

InChI=1/C19H20N2O3/c1-4-12(5-2)18(22)21-15-10-11(3)16-17(20-15)13-8-6-7-9-14(13)24-19(16)23/h6-10,12H,4-5H2,1-3H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1771 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -5.83083	SlogP: 3.96432	Reactive groups: 0

Topological Properties
Globularity: 0.057392	Sterimol/B1: 2.3667	Sterimol/B2: 4.97514	Sterimol/B3: 5.45144
Sterimol/B4: 6.55312	Sterimol/L: 15.0185

Surface and Volume Properties
Accessible surface: 576.55	Positive charged surface: 360.437	Negative charged surface: 210.16	Volume: 314.25
Hydrophobic surface: 441.55	Hydrophilic surface: 135

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.