MMsINC Database Search


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MMsINC code: MMs00762110

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C(N1CCc2c(C1)cccc2)C(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C20H20N2O2/c23-19(21-11-9-15-5-1-3-7-17(15)13-21)20(24)22-12-10-16-6-2-4-8-18(16)14-22/h1-8H,9-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.646 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.62724	SlogP: 2.68894	Reactive groups: 0

Topological Properties
Globularity: 0.2762	Sterimol/B1: 2.48124	Sterimol/B2: 3.56368	Sterimol/B3: 4.85609
Sterimol/B4: 8.06448	Sterimol/L: 11.4083

Surface and Volume Properties
Accessible surface: 530.88	Positive charged surface: 346.507	Negative charged surface: 184.374	Volume: 316.125
Hydrophobic surface: 463.544	Hydrophilic surface: 67.336

Pharmacophoric Properties
Hydrogen bond donors: 0	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.