MMsINC Database Search


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MMsINC code: MMs00148593

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-2-28-19-14-12-17(13-15-19)23-16-21(20-10-6-7-11-22(20)26-23)24(27)25-18-8-4-3-5-9-18/h3-16H,2H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.875 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.71618	SlogP: 5.5528	Reactive groups: 0

Topological Properties
Globularity: 0.0112615	Sterimol/B1: 2.71548	Sterimol/B2: 2.80123	Sterimol/B3: 4.67711
Sterimol/B4: 9.82444	Sterimol/L: 17.9103

Surface and Volume Properties
Accessible surface: 658.94	Positive charged surface: 374.26	Negative charged surface: 273.609	Volume: 364.125
Hydrophobic surface: 581.424	Hydrophilic surface: 77.516

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.