MMsINC Database Search


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MMsINC code: MMs00116886

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

OC=1c2c(N(C)C(=O)C=1C(=O)NC1CCCCCCC1)cccc2

InChI:

InChI=1/C19H24N2O3/c1-21-15-12-8-7-11-14(15)17(22)16(19(21)24)18(23)20-13-9-5-3-2-4-6-10-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.366 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.46702	SlogP: 3.1612	Reactive groups: 0

Topological Properties
Globularity: 0.0508065	Sterimol/B1: 2.28948	Sterimol/B2: 3.18618	Sterimol/B3: 3.9513
Sterimol/B4: 7.28629	Sterimol/L: 16.4175

Surface and Volume Properties
Accessible surface: 563.585	Positive charged surface: 377.765	Negative charged surface: 185.821	Volume: 319.875
Hydrophobic surface: 470.701	Hydrophilic surface: 92.884

Pharmacophoric Properties
Hydrogen bond donors: 2	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.