MMsINC Database Search


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MMsINC code: MMs02902294

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2c([nH]c(-c3ccccc3)c2CCNC(=O)C)cc1

InChI:

InChI=1/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6193 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.3353	SlogP: 3.52207	Reactive groups: 0

Topological Properties
Globularity: 0.0753424	Sterimol/B1: 2.31916	Sterimol/B2: 3.36959	Sterimol/B3: 3.94704
Sterimol/B4: 10.0535	Sterimol/L: 14.9813

Surface and Volume Properties
Accessible surface: 581.512	Positive charged surface: 375.599	Negative charged surface: 201.41	Volume: 311.75
Hydrophobic surface: 490.574	Hydrophilic surface: 90.938

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.