MMsINC Database Search


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MMsINC code: MMs00246656

Type: Neutral
Formula: C₂₃H₂₁N₃O₃

SMILES:

O1CC(=O)N(c2c1cccc2)CC(=O)N(Cc1ccccc1)Cc1ncccc1

InChI:

InChI=1/C23H21N3O3/c27-22(16-26-20-11-4-5-12-21(20)29-17-23(26)28)25(14-18-8-2-1-3-9-18)15-19-10-6-7-13-24-19/h1-13H,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.822 kcal/mol

Physical Properties
Molecular Weight: 387.439 g/mol	logS: -4.17736	SlogP: 3.5688	Reactive groups: 0

Topological Properties
Globularity: 0.146667	Sterimol/B1: 2.49904	Sterimol/B2: 3.92163	Sterimol/B3: 4.4668
Sterimol/B4: 11.3795	Sterimol/L: 15.1528

Surface and Volume Properties
Accessible surface: 639.868	Positive charged surface: 396.601	Negative charged surface: 243.267	Volume: 374
Hydrophobic surface: 560.93	Hydrophilic surface: 78.938

Pharmacophoric Properties
Hydrogen bond donors: 0	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.