MMsINC Database Search


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MMsINC code: MMs00621861

Type: Neutral
Formula: C₁₁H₁₅NO₄

SMILES:

O(C)c1cc(OC)ccc1NC(=O)COC

InChI:

InChI=1/C11H15NO4/c1-14-7-11(13)12-9-5-4-8(15-2)6-10(9)16-3/h4-6H,7H2,1-3H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4282 kcal/mol

Physical Properties
Molecular Weight: 225.244 g/mol	logS: -1.83037	SlogP: 1.2887	Reactive groups: 0

Topological Properties
Globularity: 0.0250446	Sterimol/B1: 2.25192	Sterimol/B2: 3.03513	Sterimol/B3: 3.36435
Sterimol/B4: 6.73275	Sterimol/L: 14.912

Surface and Volume Properties
Accessible surface: 467.375	Positive charged surface: 385.632	Negative charged surface: 81.743	Volume: 216.25
Hydrophobic surface: 395.843	Hydrophilic surface: 71.532

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.