MMsINC Database Search


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MMsINC code: MMs01451438

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O(C(=O)c1cccc(C)c1C)CC(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C18H18N2O4/c1-11-4-3-5-15(12(11)2)18(23)24-10-16(21)20-14-8-6-13(7-9-14)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.329 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -4.963	SlogP: 2.19784	Reactive groups: 0

Topological Properties
Globularity: 0.0113242	Sterimol/B1: 2.69424	Sterimol/B2: 2.78508	Sterimol/B3: 4.51015
Sterimol/B4: 4.69303	Sterimol/L: 19.4998

Surface and Volume Properties
Accessible surface: 590.888	Positive charged surface: 357.307	Negative charged surface: 233.581	Volume: 308.5
Hydrophobic surface: 413.493	Hydrophilic surface: 177.395

Pharmacophoric Properties
Hydrogen bond donors: 2	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.