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MMsINC code: MMs01658462

Type: Neutral
Formula: C₁₈H₂₂N₂O₃

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CC(=O)N(C)C1CCCCC1

InChI:

InChI=1/C18H22N2O3/c1-20(13-7-3-2-4-8-13)17(21)12-23-18(22)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-11,13,19H,2-4,7-8,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8037 kcal/mol

Physical Properties
Molecular Weight: 314.385 g/mol	logS: -3.59423	SlogP: 3.1158	Reactive groups: 0

Topological Properties
Globularity: 0.030928	Sterimol/B1: 1.969	Sterimol/B2: 3.61836	Sterimol/B3: 3.63268
Sterimol/B4: 6.43241	Sterimol/L: 19.3175

Surface and Volume Properties
Accessible surface: 584.477	Positive charged surface: 386.508	Negative charged surface: 191.835	Volume: 312
Hydrophobic surface: 468.384	Hydrophilic surface: 116.093

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.