MMsINC Database Search


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MMsINC code: MMs00566838

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1ccccc1)c1nc2c(nc1\C=C/c1ccc(OC)cc1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-27-20-14-11-18(12-15-20)13-16-23-24(28-17-19-7-3-2-4-8-19)26-22-10-6-5-9-21(22)25-23/h2-16H,17H2,1H3/b16-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.77 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.2642	SlogP: 5.6542	Reactive groups: 0

Topological Properties
Globularity: 0.0535769	Sterimol/B1: 3.64423	Sterimol/B2: 3.85452	Sterimol/B3: 4.29053
Sterimol/B4: 7.65595	Sterimol/L: 18.9991

Surface and Volume Properties
Accessible surface: 655.846	Positive charged surface: 417.586	Negative charged surface: 238.26	Volume: 368.375
Hydrophobic surface: 608.706	Hydrophilic surface: 47.14

Pharmacophoric Properties
Hydrogen bond donors: 0	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.