MMsINC Database Search


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MMsINC code: MMs00617089

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)CCC)ccc1)C

InChI:

InChI=1/C19H20N2O2/c1-4-6-18(22)20-15-8-5-7-14(11-15)19-21-16-9-12(2)13(3)10-17(16)23-19/h5,7-11H,4,6H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7932 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -6.57483	SlogP: 4.85024	Reactive groups: 0

Topological Properties
Globularity: 0.0131122	Sterimol/B1: 2.46429	Sterimol/B2: 2.85854	Sterimol/B3: 2.92594
Sterimol/B4: 9.59234	Sterimol/L: 17.4546

Surface and Volume Properties
Accessible surface: 601.122	Positive charged surface: 388.398	Negative charged surface: 212.725	Volume: 309.125
Hydrophobic surface: 497.907	Hydrophilic surface: 103.215

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.