MMsINC Database Search


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MMsINC code: MMs00792632

Type: Neutral
Formula: C₁₈H₂₀N₂O₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)NCC(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C18H20N2O5/c1-23-14-6-4-5-13(10-14)20-17(21)11-19-18(22)12-7-8-15(24-2)16(9-12)25-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.51 kcal/mol

Physical Properties
Molecular Weight: 344.367 g/mol	logS: -3.67858	SlogP: 2.0809	Reactive groups: 0

Topological Properties
Globularity: 0.0136662	Sterimol/B1: 1.9959	Sterimol/B2: 3.83568	Sterimol/B3: 4.68886
Sterimol/B4: 4.89621	Sterimol/L: 20.3708

Surface and Volume Properties
Accessible surface: 630.557	Positive charged surface: 461.147	Negative charged surface: 169.41	Volume: 322.75
Hydrophobic surface: 510.806	Hydrophilic surface: 119.751

Pharmacophoric Properties
Hydrogen bond donors: 2	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.