MMsINC Database Search


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MMsINC code: MMs01139637

Type: Neutral
Formula: C₂₃H₂₉N₃O₄

SMILES:

O(C)c1ccc(NC(=O)CNC(=O)CN(C(=O)Cc2ccccc2)CC(C)C)cc1

InChI:

InChI=1/C23H29N3O4/c1-17(2)15-26(23(29)13-18-7-5-4-6-8-18)16-22(28)24-14-21(27)25-19-9-11-20(30-3)12-10-19/h4-12,17H,13-16H2,1-3H3,(H,24,28)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.78 kcal/mol

Physical Properties
Molecular Weight: 411.502 g/mol	logS: -4.43662	SlogP: 2.47717	Reactive groups: 0

Topological Properties
Globularity: 0.0331632	Sterimol/B1: 2.80432	Sterimol/B2: 4.03282	Sterimol/B3: 4.20904
Sterimol/B4: 9.1783	Sterimol/L: 21.6219

Surface and Volume Properties
Accessible surface: 739.526	Positive charged surface: 500.402	Negative charged surface: 239.124	Volume: 410
Hydrophobic surface: 582.41	Hydrophilic surface: 157.116

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.