MMsINC Database Search


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MMsINC code: MMs01713906

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

O1CCC2(NC(=O)N(Cc3ccc(cc3)C(OC)=O)C2=O)c2c1cccc2

InChI:

InChI=1/C20H18N2O5/c1-26-17(23)14-8-6-13(7-9-14)12-22-18(24)20(21-19(22)25)10-11-27-16-5-3-2-4-15(16)20/h2-9H,10-12H2,1H3,(H,21,25)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4482 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -4.35301	SlogP: 2.7809	Reactive groups: 0

Topological Properties
Globularity: 0.115453	Sterimol/B1: 3.14287	Sterimol/B2: 4.40388	Sterimol/B3: 4.4553
Sterimol/B4: 6.99043	Sterimol/L: 15.9171

Surface and Volume Properties
Accessible surface: 586.761	Positive charged surface: 386.911	Negative charged surface: 199.85	Volume: 330
Hydrophobic surface: 454.707	Hydrophilic surface: 132.054

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.