MMsINC Database Search


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MMsINC code: MMs01216298

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O(CC(=O)c1c(C)c(n(C)c1C)C(OC)=O)c1ccc(cc1OC)C

InChI:

InChI=1/C19H23NO5/c1-11-7-8-15(16(9-11)23-5)25-10-14(21)17-12(2)18(19(22)24-6)20(4)13(17)3/h7-9H,10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.196 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.40455	SlogP: 3.36646	Reactive groups: 0

Topological Properties
Globularity: 0.0987261	Sterimol/B1: 2.38942	Sterimol/B2: 2.49852	Sterimol/B3: 6.14238
Sterimol/B4: 6.31575	Sterimol/L: 18.5643

Surface and Volume Properties
Accessible surface: 639.848	Positive charged surface: 454.869	Negative charged surface: 184.979	Volume: 339.125
Hydrophobic surface: 557.027	Hydrophilic surface: 82.821

Pharmacophoric Properties
Hydrogen bond donors: 0	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.