MMsINC Database Search


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MMsINC code: MMs02215391

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O=C(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C20H16N2O2/c23-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)22-20(24)21-17-9-5-2-6-10-17/h1-14H,(H2,21,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.241 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -5.32486	SlogP: 4.5616	Reactive groups: 0

Topological Properties
Globularity: 0.0236359	Sterimol/B1: 2.46906	Sterimol/B2: 2.65182	Sterimol/B3: 3.27116
Sterimol/B4: 7.7519	Sterimol/L: 18.0551

Surface and Volume Properties
Accessible surface: 577.984	Positive charged surface: 320.937	Negative charged surface: 257.047	Volume: 307
Hydrophobic surface: 482.348	Hydrophilic surface: 95.636

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.