MMsINC Database Search


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MMsINC code: MMs00748545

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

O(CCOc1ccc(cc1)C)c1ccccc1C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C20H18N2O5/c1-13-6-8-15(9-7-13)26-10-11-27-17-5-3-2-4-14(17)12-16-18(23)21-20(25)22-19(16)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3129 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -5.18012	SlogP: 2.20222	Reactive groups: 0

Topological Properties
Globularity: 0.0611613	Sterimol/B1: 3.49374	Sterimol/B2: 3.84082	Sterimol/B3: 4.62318
Sterimol/B4: 7.54863	Sterimol/L: 16.94

Surface and Volume Properties
Accessible surface: 632.469	Positive charged surface: 384.691	Negative charged surface: 247.778	Volume: 335.125
Hydrophobic surface: 446.044	Hydrophilic surface: 186.425

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.