MMsINC Database Search


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MMsINC code: MMs00622008

Type: Neutral
Formula: C₂₁H₁₄N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C21H14N2O3/c24-19(14-7-2-1-3-8-14)22-15-9-6-10-16(13-15)23-20(25)17-11-4-5-12-18(17)21(23)26/h1-13H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.22 kcal/mol

Physical Properties
Molecular Weight: 342.354 g/mol	logS: -5.72858	SlogP: 3.7395	Reactive groups: 0

Topological Properties
Globularity: 0.0105238	Sterimol/B1: 2.68904	Sterimol/B2: 2.69838	Sterimol/B3: 3.03018
Sterimol/B4: 7.42382	Sterimol/L: 18.7866

Surface and Volume Properties
Accessible surface: 582.438	Positive charged surface: 298.402	Negative charged surface: 284.037	Volume: 316.875
Hydrophobic surface: 475.222	Hydrophilic surface: 107.216

Pharmacophoric Properties
Hydrogen bond donors: 1	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.