MMsINC Database Search


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MMsINC code: MMs00116332

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O1CCN(CC1)c1cc(cc(c1)C)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C20H20N2O3/c1-14-10-15(12-16(11-14)21-6-8-25-9-7-21)13-22-19(23)17-4-2-3-5-18(17)20(22)24/h2-5,10-12H,6-9,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.14 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.39544	SlogP: 2.89422	Reactive groups: 0

Topological Properties
Globularity: 0.116504	Sterimol/B1: 2.08756	Sterimol/B2: 2.91233	Sterimol/B3: 4.95281
Sterimol/B4: 8.67187	Sterimol/L: 15.7016

Surface and Volume Properties
Accessible surface: 584.265	Positive charged surface: 395.218	Negative charged surface: 189.047	Volume: 324.25
Hydrophobic surface: 481.488	Hydrophilic surface: 102.777

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.