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MMsINC code: MMs00447412

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

OC(=O)C(NC(=O)Nc1cc(ccc1)C(=O)C)Cc1ccccc1

InChI:

InChI=1/C18H18N2O4/c1-12(21)14-8-5-9-15(11-14)19-18(24)20-16(17(22)23)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,22,23)(H2,19,20,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3979 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.56567	SlogP: 2.70657	Reactive groups: 0

Topological Properties
Globularity: 0.084931	Sterimol/B1: 3.27669	Sterimol/B2: 4.36164	Sterimol/B3: 5.5302
Sterimol/B4: 5.63288	Sterimol/L: 15.289

Surface and Volume Properties
Accessible surface: 590.918	Positive charged surface: 330.39	Negative charged surface: 260.528	Volume: 310.5
Hydrophobic surface: 418.68	Hydrophilic surface: 172.238

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00447413
AURORAFEINCHEMIE-ZINC00537301