MMsINC Database Search


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MMsINC code: MMs00187709

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)NNC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H18N2O4/c1-25-17-11-10-14(12-18(17)26-2)19(23)21-22-20(24)16-9-5-7-13-6-3-4-8-15(13)16/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)=133.026 kcal/mol

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

Topological Properties
Globularity: 0.00335044	Sterimol/B1: 2.25095	Sterimol/B2: 2.39906	Sterimol/B3: 2.59605
Sterimol/B4: 7.79576	Sterimol/L: 18.6106

Surface and Volume Properties
Accessible surface: 626.985	Positive charged surface: 389.506	Negative charged surface: 226.138	Volume: 329.25
Hydrophobic surface: 518.963	Hydrophilic surface: 108.022

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.