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MMsINC code: MMs02203263

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1c2c(cccc2NC(=O)CN(CC)CC)C(=O)c2c1cccc2

InChI:

InChI=1/C20H20N2O3/c1-3-22(4-2)12-17(23)21-16-11-7-10-15-18(16)20(25)14-9-6-5-8-13(14)19(15)24/h5-11H,3-4,12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.157 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.6394	SlogP: 2.7423	Reactive groups: 0

Topological Properties
Globularity: 0.0421904	Sterimol/B1: 2.08579	Sterimol/B2: 5.44348	Sterimol/B3: 5.6396
Sterimol/B4: 5.65657	Sterimol/L: 17.1733

Surface and Volume Properties
Accessible surface: 576.413	Positive charged surface: 363.357	Negative charged surface: 213.056	Volume: 325.375
Hydrophobic surface: 441.554	Hydrophilic surface: 134.859

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02203264
NANOSIN-ZINC03896928