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MMsINC code: MMs02478131

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)NCCC1c2c(NC1)cccc2

InChI:

InChI=1/C18H20N2O2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,15,20H,10-13H2,(H,19,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2465 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.45883	SlogP: 3.7786	Reactive groups: 0

Topological Properties
Globularity: 0.0477986	Sterimol/B1: 3.16374	Sterimol/B2: 3.66373	Sterimol/B3: 4.29093
Sterimol/B4: 5.22646	Sterimol/L: 18.835

Surface and Volume Properties
Accessible surface: 589.209	Positive charged surface: 385.48	Negative charged surface: 203.728	Volume: 299.875
Hydrophobic surface: 481.108	Hydrophilic surface: 108.101

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.