MMsINC Database Search


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MMsINC code: MMs00931462

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccccc3)c(cc1)C)cc(cc2C)C

InChI:

InChI=1/C23H20N2O2/c1-14-11-16(3)21-20(12-14)25-23(27-21)18-10-9-15(2)19(13-18)24-22(26)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2463 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.4654	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.0106478	Sterimol/B1: 2.52703	Sterimol/B2: 2.62298	Sterimol/B3: 2.79249
Sterimol/B4: 9.46855	Sterimol/L: 17.6976

Surface and Volume Properties
Accessible surface: 653.173	Positive charged surface: 378.676	Negative charged surface: 274.497	Volume: 351.25
Hydrophobic surface: 589.499	Hydrophilic surface: 63.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.