MMsINC Database Search


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MMsINC code: MMs00887832

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(Cc1cc(ccc1)C(=O)Nc1ccncc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O2/c26-23(25-21-10-12-24-13-11-21)20-7-3-4-17(14-20)16-27-22-9-8-18-5-1-2-6-19(18)15-22/h1-15H,16H2,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.335 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.79289	SlogP: 5.3325	Reactive groups: 0

Topological Properties
Globularity: 0.055839	Sterimol/B1: 3.13606	Sterimol/B2: 4.05077	Sterimol/B3: 4.2439
Sterimol/B4: 7.00135	Sterimol/L: 20.6611

Surface and Volume Properties
Accessible surface: 644.444	Positive charged surface: 376.637	Negative charged surface: 257.264	Volume: 347.625
Hydrophobic surface: 580.652	Hydrophilic surface: 63.792

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.