MMsINC Database Search


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MMsINC code: MMs01640066

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C1(NC(=O)N(Cc2ccccc2)C1=O)CC

InChI:

InChI=1/C19H20N2O3/c1-3-19(15-9-11-16(24-2)12-10-15)17(22)21(18(23)20-19)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,20,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4465 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.14965	SlogP: 3.6304	Reactive groups: 0

Topological Properties
Globularity: 0.146731	Sterimol/B1: 2.40357	Sterimol/B2: 3.58088	Sterimol/B3: 4.04975
Sterimol/B4: 9.87036	Sterimol/L: 13.8061

Surface and Volume Properties
Accessible surface: 561.829	Positive charged surface: 355.579	Negative charged surface: 206.25	Volume: 314.875
Hydrophobic surface: 457.405	Hydrophilic surface: 104.424

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.