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MMsINC code: MMs02823323

Type: Neutral
Formula: C₂₁H₂₂N₂O₄

SMILES:

O(CCCC1(CCc2ccccc2)C(=O)NC(=O)NC1=O)c1ccccc1

InChI:

InChI=1/C21H22N2O4/c24-18-21(19(25)23-20(26)22-18,14-12-16-8-3-1-4-9-16)13-7-15-27-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H2,22,23,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6011 kcal/mol

Physical Properties
Molecular Weight: 366.417 g/mol	logS: -4.75168	SlogP: 2.83077	Reactive groups: 0

Topological Properties
Globularity: 0.0569037	Sterimol/B1: 2.78073	Sterimol/B2: 4.09434	Sterimol/B3: 4.13502
Sterimol/B4: 8.29343	Sterimol/L: 19.2822

Surface and Volume Properties
Accessible surface: 642.336	Positive charged surface: 357.627	Negative charged surface: 284.709	Volume: 349.125
Hydrophobic surface: 484.135	Hydrophilic surface: 158.201

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.