MMsINC Database Search


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MMsINC code: MMs01643261

Type: Neutral
Formula: C₂₃H₂₅N₃O₄

SMILES:

O1CCN(CC1)C(=O)CN1C(=O)C(NC1=O)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H25N3O4/c27-20(25-11-13-30-14-12-25)17-26-21(28)23(24-22(26)29,15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2549 kcal/mol

Physical Properties
Molecular Weight: 407.47 g/mol	logS: -4.05129	SlogP: 1.62114	Reactive groups: 0

Topological Properties
Globularity: 0.13631	Sterimol/B1: 2.49039	Sterimol/B2: 3.37086	Sterimol/B3: 4.57364
Sterimol/B4: 9.42121	Sterimol/L: 14.5259

Surface and Volume Properties
Accessible surface: 619.711	Positive charged surface: 421.771	Negative charged surface: 197.941	Volume: 388.25
Hydrophobic surface: 544.527	Hydrophilic surface: 75.184

Pharmacophoric Properties
Hydrogen bond donors: 1	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.