MMsINC Database Search


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MMsINC code: MMs00902552

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C1=Nc2c(cccc2)C(=O)N1Cc1ccccc1C

InChI:

InChI=1/C24H22N2O3/c1-16-8-4-5-9-18(16)15-26-23(17-12-13-21(28-2)22(14-17)29-3)25-20-11-7-6-10-19(20)24(26)27/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.804 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.19594	SlogP: 5.01292	Reactive groups: 0

Topological Properties
Globularity: 0.239725	Sterimol/B1: 2.72717	Sterimol/B2: 3.72636	Sterimol/B3: 5.6403
Sterimol/B4: 8.88782	Sterimol/L: 16.1856

Surface and Volume Properties
Accessible surface: 616.897	Positive charged surface: 416.689	Negative charged surface: 200.208	Volume: 375
Hydrophobic surface: 563.848	Hydrophilic surface: 53.049

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.