MMsINC Database Search


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MMsINC code: MMs00986469

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(CC(=O)N(CCCC)CC)C1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H26N2O3/c1-4-7-12-20(5-2)19(23)14-24-17-13-18(22)21(6-3)16-11-9-8-10-15(16)17/h8-11,13H,4-7,12,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5605 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -3.96081	SlogP: 3.0592	Reactive groups: 0

Topological Properties
Globularity: 0.0406376	Sterimol/B1: 2.26601	Sterimol/B2: 4.13343	Sterimol/B3: 4.52374
Sterimol/B4: 7.20677	Sterimol/L: 18.3673

Surface and Volume Properties
Accessible surface: 619.014	Positive charged surface: 419.173	Negative charged surface: 199.841	Volume: 340.875
Hydrophobic surface: 488.761	Hydrophilic surface: 130.253

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.