MMsINC Database Search


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MMsINC code: MMs00986474

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

O1c2cc(NC(=O)COC3=CC(=O)N(c4c3cccc4)CC)ccc2OC1

InChI:

InChI=1/C20H18N2O5/c1-2-22-15-6-4-3-5-14(15)17(10-20(22)24)25-11-19(23)21-13-7-8-16-18(9-13)27-12-26-16/h3-10H,2,11-12H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.342 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -4.47435	SlogP: 2.778	Reactive groups: 0

Topological Properties
Globularity: 0.0170251	Sterimol/B1: 2.14318	Sterimol/B2: 2.99574	Sterimol/B3: 3.82161
Sterimol/B4: 7.35889	Sterimol/L: 19.8504

Surface and Volume Properties
Accessible surface: 625.182	Positive charged surface: 393.462	Negative charged surface: 231.721	Volume: 332.375
Hydrophobic surface: 462.508	Hydrophilic surface: 162.674

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.