MMsINC Database Search


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MMsINC code: MMs03177960

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C(=O)c1ccc(cc1)CNC(=O)C(=O)Nc1cc(C)c(cc1)C)C

InChI:

InChI=1/C19H20N2O4/c1-12-4-9-16(10-13(12)2)21-18(23)17(22)20-11-14-5-7-15(8-6-14)19(24)25-3/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9687 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.85701	SlogP: 2.61134	Reactive groups: 0

Topological Properties
Globularity: 0.0305289	Sterimol/B1: 3.21534	Sterimol/B2: 3.24305	Sterimol/B3: 4.23628
Sterimol/B4: 6.31794	Sterimol/L: 20.5663

Surface and Volume Properties
Accessible surface: 641.331	Positive charged surface: 410.727	Negative charged surface: 230.604	Volume: 327.125
Hydrophobic surface: 498.067	Hydrophilic surface: 143.264

Pharmacophoric Properties
Hydrogen bond donors: 2	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.