MMsINC Database Search


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MMsINC code: MMs00571984

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(CCNC(=O)c1n(c2c(c1)cccc2)C)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6283 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.18648	SlogP: 3.65472	Reactive groups: 0

Topological Properties
Globularity: 0.0312279	Sterimol/B1: 3.05368	Sterimol/B2: 3.61689	Sterimol/B3: 3.92254
Sterimol/B4: 6.45589	Sterimol/L: 18.3668

Surface and Volume Properties
Accessible surface: 596.977	Positive charged surface: 376.422	Negative charged surface: 214.863	Volume: 311
Hydrophobic surface: 552.423	Hydrophilic surface: 44.554

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.