MMsINC Database Search


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MMsINC code: MMs00676765

Type: Neutral
Formula: C₂₂H₁₈N₂O₃

SMILES:

o1c2c(nc1-c1ccc(NC(=O)Cc3ccccc3OC)cc1)cccc2

InChI:

InChI=1/C22H18N2O3/c1-26-19-8-4-2-6-16(19)14-21(25)23-17-12-10-15(11-13-17)22-24-18-7-3-5-9-20(18)27-22/h2-13H,14H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.116 kcal/mol

Physical Properties
Molecular Weight: 358.397 g/mol	logS: -6.78239	SlogP: 4.68457	Reactive groups: 0

Topological Properties
Globularity: 0.0492098	Sterimol/B1: 2.22264	Sterimol/B2: 2.45021	Sterimol/B3: 6.4686
Sterimol/B4: 7.25207	Sterimol/L: 19.496

Surface and Volume Properties
Accessible surface: 639.857	Positive charged surface: 403.921	Negative charged surface: 235.936	Volume: 345.5
Hydrophobic surface: 562.428	Hydrophilic surface: 77.429

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.