MMsINC Database Search


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MMsINC code: MMs01412120

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)C)ccc1OC

InChI:

InChI=1/C18H19NO5/c1-12-4-6-13(7-5-12)18(21)24-11-17(20)19-14-8-9-15(22-2)16(10-14)23-3/h4-10H,11H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.134 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -4.33772	SlogP: 2.80772	Reactive groups: 0

Topological Properties
Globularity: 0.0185835	Sterimol/B1: 2.67782	Sterimol/B2: 3.64452	Sterimol/B3: 3.69402
Sterimol/B4: 5.84572	Sterimol/L: 18.8599

Surface and Volume Properties
Accessible surface: 618.424	Positive charged surface: 425.276	Negative charged surface: 193.148	Volume: 316
Hydrophobic surface: 514.86	Hydrophilic surface: 103.564

Pharmacophoric Properties
Hydrogen bond donors: 1	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.