MMsINC Database Search


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MMsINC code: MMs01879068

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)CC(=O)N1CCc2[nH]c3c(c2C1)cccc3

InChI:

InChI=1/C20H20N2O2/c1-24-15-8-6-14(7-9-15)12-20(23)22-11-10-19-17(13-22)16-4-2-3-5-18(16)21-19/h2-9,21H,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9939 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.93146	SlogP: 3.57024	Reactive groups: 0

Topological Properties
Globularity: 0.056114	Sterimol/B1: 3.57292	Sterimol/B2: 3.68926	Sterimol/B3: 4.25021
Sterimol/B4: 6.13628	Sterimol/L: 18.9565

Surface and Volume Properties
Accessible surface: 586.676	Positive charged surface: 397.335	Negative charged surface: 184.226	Volume: 317.625
Hydrophobic surface: 515.858	Hydrophilic surface: 70.818

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.