MMsINC Database Search


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MMsINC code: MMs01571345

Type: Neutral
Formula: C₂₀H₂₃N₃O₄

SMILES:

O(C(=O)c1c2CCCc2nc2c1cccc2)CC(=O)NC(=O)NC(C)(C)C

InChI:

InChI=1/C20H23N3O4/c1-20(2,3)23-19(26)22-16(24)11-27-18(25)17-12-7-4-5-9-14(12)21-15-10-6-8-13(15)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H2,22,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0151 kcal/mol

Physical Properties
Molecular Weight: 369.421 g/mol	logS: -4.31147	SlogP: 2.50454	Reactive groups: 0

Topological Properties
Globularity: 0.050977	Sterimol/B1: 2.1575	Sterimol/B2: 4.89405	Sterimol/B3: 5.44622
Sterimol/B4: 7.0627	Sterimol/L: 18.1283

Surface and Volume Properties
Accessible surface: 653.75	Positive charged surface: 419.595	Negative charged surface: 229.32	Volume: 350.75
Hydrophobic surface: 463.963	Hydrophilic surface: 189.787

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.