MMsINC Database Search


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MMsINC code: MMs03960036

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(c1ccc(NC(=O)c2n(c3c(cc(cc3)C)c2)C)cc1)c1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-16-8-13-21-17(14-16)15-22(25(21)2)23(26)24-18-9-11-20(12-10-18)27-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6765 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.94833	SlogP: 5.89052	Reactive groups: 0

Topological Properties
Globularity: 0.0221989	Sterimol/B1: 2.35322	Sterimol/B2: 3.45932	Sterimol/B3: 3.63956
Sterimol/B4: 6.91276	Sterimol/L: 21.215

Surface and Volume Properties
Accessible surface: 641.842	Positive charged surface: 378.541	Negative charged surface: 257.75	Volume: 356.875
Hydrophobic surface: 603.794	Hydrophilic surface: 38.048

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.