MMsINC Database Search


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MMsINC code: MMs01697464

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1N(c2ccccc2C)C(=O)c2c1cc(cc2)C(=O)NC(C)(C)C

InChI:

InChI=1/C20H20N2O3/c1-12-7-5-6-8-16(12)22-18(24)14-10-9-13(11-15(14)19(22)25)17(23)21-20(2,3)4/h5-11H,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.38 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -5.04682	SlogP: 3.32392	Reactive groups: 0

Topological Properties
Globularity: 0.0637094	Sterimol/B1: 2.14453	Sterimol/B2: 4.06923	Sterimol/B3: 4.22753
Sterimol/B4: 6.11982	Sterimol/L: 18.6078

Surface and Volume Properties
Accessible surface: 592.545	Positive charged surface: 328.572	Negative charged surface: 263.973	Volume: 326.375
Hydrophobic surface: 449.784	Hydrophilic surface: 142.761

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.