MMsINC Database Search


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MMsINC code: MMs02803052

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

o1c2cc(NC(=O)CCC)ccc2nc1-c1ccc(cc1)CC

InChI:

InChI=1/C19H20N2O2/c1-3-5-18(22)20-15-10-11-16-17(12-15)23-19(21-16)14-8-6-13(4-2)7-9-14/h6-12H,3-5H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9768 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -6.61613	SlogP: 4.79577	Reactive groups: 0

Topological Properties
Globularity: 0.0138529	Sterimol/B1: 2.44241	Sterimol/B2: 2.85478	Sterimol/B3: 3.12853
Sterimol/B4: 7.51369	Sterimol/L: 20.3083

Surface and Volume Properties
Accessible surface: 607.24	Positive charged surface: 397.122	Negative charged surface: 210.118	Volume: 310.875
Hydrophobic surface: 477.934	Hydrophilic surface: 129.306

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.