MMsINC Database Search


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MMsINC code: MMs01672200

Type: Neutral
Formula: C₂₃H₂₃N₃O₃

SMILES:

O(C)c1ccc(NC(=O)c2ccc(NC(=O)CN(C)c3ccccc3)cc2)cc1

InChI:

InChI=1/C23H23N3O3/c1-26(20-6-4-3-5-7-20)16-22(27)24-18-10-8-17(9-11-18)23(28)25-19-12-14-21(29-2)15-13-19/h3-15H,16H2,1-2H3,(H,24,27)(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.909 kcal/mol

Physical Properties
Molecular Weight: 389.455 g/mol	logS: -5.32909	SlogP: 4.0224	Reactive groups: 0

Topological Properties
Globularity: 0.0500228	Sterimol/B1: 2.05884	Sterimol/B2: 4.30026	Sterimol/B3: 5.58003
Sterimol/B4: 7.22746	Sterimol/L: 21.5657

Surface and Volume Properties
Accessible surface: 697.908	Positive charged surface: 450.609	Negative charged surface: 247.299	Volume: 382
Hydrophobic surface: 610.434	Hydrophilic surface: 87.474

Pharmacophoric Properties
Hydrogen bond donors: 2	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.