MMsINC Database Search


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MMsINC code: MMs00305302

Type: Neutral
Formula: C₂₁H₁₈N₂O₃

SMILES:

O(c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C21H18N2O3/c24-20(22-15-16-7-3-1-4-8-16)21(25)23-17-11-13-19(14-12-17)26-18-9-5-2-6-10-18/h1-14H,15H2,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.562 kcal/mol

Physical Properties
Molecular Weight: 346.386 g/mol	logS: -5.31015	SlogP: 4.0002	Reactive groups: 0

Topological Properties
Globularity: 0.04146	Sterimol/B1: 2.82393	Sterimol/B2: 2.98804	Sterimol/B3: 4.66797
Sterimol/B4: 6.33125	Sterimol/L: 20.6192

Surface and Volume Properties
Accessible surface: 643.826	Positive charged surface: 363.431	Negative charged surface: 280.395	Volume: 335.125
Hydrophobic surface: 541.135	Hydrophilic surface: 102.691

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.