MMsINC Database Search


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MMsINC code: MMs01623229

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1N(C(=O)CC1)c1ccc(cc1)C(=O)Nc1c(cccc1C)CC

InChI:

InChI=1/C20H20N2O3/c1-3-14-6-4-5-13(2)19(14)21-20(25)15-7-9-16(10-8-15)22-17(23)11-12-18(22)24/h4-10H,3,11-12H2,1-2H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0881 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.58712	SlogP: 3.46309	Reactive groups: 0

Topological Properties
Globularity: 0.0551064	Sterimol/B1: 2.47669	Sterimol/B2: 3.36584	Sterimol/B3: 4.02768
Sterimol/B4: 7.87095	Sterimol/L: 17.3388

Surface and Volume Properties
Accessible surface: 591.471	Positive charged surface: 339.627	Negative charged surface: 251.844	Volume: 328.5
Hydrophobic surface: 470.058	Hydrophilic surface: 121.413

Pharmacophoric Properties
Hydrogen bond donors: 1	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.