MMsINC Database Search


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MMsINC code: MMs01571430

Type: Neutral
Formula: C₂₀H₂₃N₃O₄

SMILES:

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

InChI:

InChI=1/C20H23N3O4/c1-12(2)10-21-20(26)23-17(24)11-27-19(25)18-13-6-3-4-8-15(13)22-16-9-5-7-14(16)18/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H2,21,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1994 kcal/mol

Physical Properties
Molecular Weight: 369.421 g/mol	logS: -4.06059	SlogP: 2.36204	Reactive groups: 0

Topological Properties
Globularity: 0.0369805	Sterimol/B1: 3.41057	Sterimol/B2: 3.95518	Sterimol/B3: 4.87654
Sterimol/B4: 7.09502	Sterimol/L: 19.5088

Surface and Volume Properties
Accessible surface: 668.941	Positive charged surface: 433.523	Negative charged surface: 230.411	Volume: 351.125
Hydrophobic surface: 474.173	Hydrophilic surface: 194.768

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.