MMsINC Database Search


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MMsINC code: MMs00736497

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(CC)c1ccc(NC2CC(=O)N(C2=O)c2ccccc2C)cc1

InChI:

InChI=1/C19H20N2O3/c1-3-24-15-10-8-14(9-11-15)20-16-12-18(22)21(19(16)23)17-7-5-4-6-13(17)2/h4-11,16,20H,3,12H2,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.689 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.02791	SlogP: 3.13772	Reactive groups: 0

Topological Properties
Globularity: 0.0986469	Sterimol/B1: 2.41494	Sterimol/B2: 4.08072	Sterimol/B3: 4.64859
Sterimol/B4: 6.61897	Sterimol/L: 17.2457

Surface and Volume Properties
Accessible surface: 592.495	Positive charged surface: 353.88	Negative charged surface: 238.614	Volume: 318
Hydrophobic surface: 489.818	Hydrophilic surface: 102.677

Pharmacophoric Properties
Hydrogen bond donors: 1	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.