MMsINC Database Search


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MMsINC code: MMs00187714

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)NNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H18N2O4/c1-25-17-10-9-16(12-18(17)26-2)20(24)22-21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.836 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -5.56204	SlogP: 2.9318	Reactive groups: 0

Topological Properties
Globularity: 0.00251804	Sterimol/B1: 1.969	Sterimol/B2: 2.37324	Sterimol/B3: 2.38255
Sterimol/B4: 7.58649	Sterimol/L: 20.3268

Surface and Volume Properties
Accessible surface: 626.111	Positive charged surface: 382.22	Negative charged surface: 231.951	Volume: 332.625
Hydrophobic surface: 512.083	Hydrophilic surface: 114.028

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.