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MMsINC code: MMs01235772

Type: Neutral
Formula: C₁₈H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)NNC(=O)CCc1ccccc1

InChI:

InChI=1/C18H20N2O4/c1-23-15-10-9-14(12-16(15)24-2)18(22)20-19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0033 kcal/mol

Physical Properties
Molecular Weight: 328.368 g/mol	logS: -3.62755	SlogP: 2.09757	Reactive groups: 0

Topological Properties
Globularity: 0.0240293	Sterimol/B1: 1.969	Sterimol/B2: 3.61801	Sterimol/B3: 3.61834
Sterimol/B4: 7.59084	Sterimol/L: 20.2479

Surface and Volume Properties
Accessible surface: 620.732	Positive charged surface: 418.506	Negative charged surface: 202.227	Volume: 316.75
Hydrophobic surface: 500.957	Hydrophilic surface: 119.775

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.