MMsINC Database Search


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MMsINC code: MMs00149780

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1cc(OC)cc2c1nccc2

InChI:

InChI=1/C20H20N2O4/c1-24-15-11-14-5-4-8-21-20(14)16(12-15)22-19(23)10-13-6-7-17(25-2)18(9-13)26-3/h4-9,11-12H,10H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.6 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.15602	SlogP: 3.44177	Reactive groups: 0

Topological Properties
Globularity: 0.116631	Sterimol/B1: 2.20924	Sterimol/B2: 5.47955	Sterimol/B3: 6.3081
Sterimol/B4: 7.17334	Sterimol/L: 17.1326

Surface and Volume Properties
Accessible surface: 637.447	Positive charged surface: 490.442	Negative charged surface: 142.621	Volume: 338.375
Hydrophobic surface: 560.091	Hydrophilic surface: 77.356

Pharmacophoric Properties
Hydrogen bond donors: 1	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.