MMsINC Database Search


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MMsINC code: MMs01366744

Type: Neutral
Formula: C₁₈H₂₅NO₅

SMILES:

O(C)c1cc(cc(OC)c1)C(OCC(=O)NC1CCCCC1C)=O

InChI:

InChI=1/C18H25NO5/c1-12-6-4-5-7-16(12)19-17(20)11-24-18(21)13-8-14(22-2)10-15(9-13)23-3/h8-10,12,16H,4-7,11H2,1-3H3,(H,19,20)/t12-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6617 kcal/mol

Physical Properties
Molecular Weight: 335.4 g/mol	logS: -3.71285	SlogP: 2.5555	Reactive groups: 0

Topological Properties
Globularity: 0.0351318	Sterimol/B1: 2.27293	Sterimol/B2: 2.92024	Sterimol/B3: 5.27052
Sterimol/B4: 6.94082	Sterimol/L: 19.2871

Surface and Volume Properties
Accessible surface: 629.147	Positive charged surface: 473.854	Negative charged surface: 155.294	Volume: 329.25
Hydrophobic surface: 510.514	Hydrophilic surface: 118.633

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.