MMsINC Database Search


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MMsINC code: MMs00962220

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(c1ccc(NC(=O)Cc2c3c(n(c2)C)cccc3)cc1)c1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-25-16-17(21-9-5-6-10-22(21)25)15-23(26)24-18-11-13-20(14-12-18)27-19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.728 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.38296	SlogP: 5.51097	Reactive groups: 0

Topological Properties
Globularity: 0.0944539	Sterimol/B1: 2.30304	Sterimol/B2: 4.91078	Sterimol/B3: 5.09898
Sterimol/B4: 6.79352	Sterimol/L: 17.6403

Surface and Volume Properties
Accessible surface: 655.261	Positive charged surface: 400.924	Negative charged surface: 250.699	Volume: 355.875
Hydrophobic surface: 606.332	Hydrophilic surface: 48.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.