MMsINC Database Search


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MMsINC code: MMs00089390

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(CC(=O)N1CCc2c(C1)cccc2)c1c2ncccc2ccc1

InChI:

InChI=1/C20H18N2O2/c23-19(22-12-10-15-5-1-2-6-17(15)13-22)14-24-18-9-3-7-16-8-4-11-21-20(16)18/h1-9,11H,10,12-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.763 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.04215	SlogP: 3.46487	Reactive groups: 0

Topological Properties
Globularity: 0.034937	Sterimol/B1: 2.097	Sterimol/B2: 3.86938	Sterimol/B3: 4.69536
Sterimol/B4: 5.66284	Sterimol/L: 17.4473

Surface and Volume Properties
Accessible surface: 574.443	Positive charged surface: 359.775	Negative charged surface: 209.849	Volume: 309.75
Hydrophobic surface: 514.522	Hydrophilic surface: 59.921

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.