MMsINC Database Search


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MMsINC code: MMs02799328

Type: Neutral
Formula: C₂₀H₂₃N₃O₃

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1ncc(NC(=O)C2CCCCC2)cc1

InChI:

InChI=1/C20H23N3O3/c1-26-17-10-7-15(8-11-17)20(25)23-18-12-9-16(13-21-18)22-19(24)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,22,24)(H,21,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5603 kcal/mol

Physical Properties
Molecular Weight: 353.422 g/mol	logS: -4.51498	SlogP: 3.8613	Reactive groups: 0

Topological Properties
Globularity: 0.0172002	Sterimol/B1: 2.18945	Sterimol/B2: 3.24735	Sterimol/B3: 3.44383
Sterimol/B4: 5.47515	Sterimol/L: 22.4954

Surface and Volume Properties
Accessible surface: 645.169	Positive charged surface: 463.086	Negative charged surface: 182.083	Volume: 343.25
Hydrophobic surface: 548.101	Hydrophilic surface: 97.068

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.