MMsINC Database Search


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MMsINC code: MMs00080088

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C20H16N2O2/c23-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)20(24)21-16-11-5-2-6-12-16/h1-14H,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.321 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -5.32486	SlogP: 4.1912	Reactive groups: 0

Topological Properties
Globularity: 0.0212832	Sterimol/B1: 2.49473	Sterimol/B2: 2.57461	Sterimol/B3: 3.04888
Sterimol/B4: 9.64275	Sterimol/L: 15.9911

Surface and Volume Properties
Accessible surface: 570.887	Positive charged surface: 307.717	Negative charged surface: 263.171	Volume: 307.375
Hydrophobic surface: 516.067	Hydrophilic surface: 54.82

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.