MMsINC Database Search


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MMsINC code: MMs00234408

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(C)c1ccccc1N(CC1=Cc2c(NC1=O)cccc2)C(=O)CC

InChI:

InChI=1/C20H20N2O3/c1-3-19(23)22(17-10-6-7-11-18(17)25-2)13-15-12-14-8-4-5-9-16(14)21-20(15)24/h4-12H,3,13H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9058 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.37473	SlogP: 3.4739	Reactive groups: 0

Topological Properties
Globularity: 0.18604	Sterimol/B1: 2.134	Sterimol/B2: 2.9554	Sterimol/B3: 5.53413
Sterimol/B4: 8.52082	Sterimol/L: 13.7636

Surface and Volume Properties
Accessible surface: 556.965	Positive charged surface: 369.689	Negative charged surface: 187.276	Volume: 326.5
Hydrophobic surface: 457.193	Hydrophilic surface: 99.772

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.