MMsINC Database Search


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MMsINC code: MMs00490027

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

OC(C(=O)NCc1ccncc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18N2O2/c23-19(22-15-16-11-13-21-14-12-16)20(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,24H,15H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.583 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -3.60613	SlogP: 3.2118	Reactive groups: 0

Topological Properties
Globularity: 0.142361	Sterimol/B1: 2.54583	Sterimol/B2: 3.7432	Sterimol/B3: 3.98111
Sterimol/B4: 8.8101	Sterimol/L: 15.0779

Surface and Volume Properties
Accessible surface: 583.7	Positive charged surface: 362.628	Negative charged surface: 221.073	Volume: 313.625
Hydrophobic surface: 513.32	Hydrophilic surface: 70.38

Pharmacophoric Properties
Hydrogen bond donors: 2	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.