MMsINC Database Search


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MMsINC code: MMs00148330

Type: Neutral
Formula: C₂₂H₁₈N₂O₃

SMILES:

o1c2c(nc1-c1ccccc1C)cc(NC(=O)c1ccccc1OC)cc2

InChI:

InChI=1/C22H18N2O3/c1-14-7-3-4-8-16(14)22-24-18-13-15(11-12-20(18)27-22)23-21(25)17-9-5-6-10-19(17)26-2/h3-13H,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.256 kcal/mol

Physical Properties
Molecular Weight: 358.397 g/mol	logS: -7.19484	SlogP: 5.06412	Reactive groups: 0

Topological Properties
Globularity: 0.015172	Sterimol/B1: 2.92357	Sterimol/B2: 2.99333	Sterimol/B3: 3.30533
Sterimol/B4: 6.9911	Sterimol/L: 19.9054

Surface and Volume Properties
Accessible surface: 627.592	Positive charged surface: 388.417	Negative charged surface: 239.175	Volume: 343.75
Hydrophobic surface: 564.015	Hydrophilic surface: 63.577

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.