MMsINC Database Search


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MMsINC code: MMs03088569

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(c1ccc(cc1)C(=O)NCc1ccncc1)c1ccc(cc1)C

InChI:

InChI=1/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0218 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.2974	SlogP: 4.37872	Reactive groups: 0

Topological Properties
Globularity: 0.0595808	Sterimol/B1: 3.02006	Sterimol/B2: 3.0672	Sterimol/B3: 4.44942
Sterimol/B4: 6.50958	Sterimol/L: 18.2353

Surface and Volume Properties
Accessible surface: 597.849	Positive charged surface: 379.45	Negative charged surface: 218.399	Volume: 316.125
Hydrophobic surface: 534.338	Hydrophilic surface: 63.511

Pharmacophoric Properties
Hydrogen bond donors: 1	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.