MMsINC Database Search


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MMsINC code: MMs00489025

Type: Neutral
Formula: C₁₁H₁₅NO₃

SMILES:

O(C)c1ccc(cc1)C(NC(OC)=O)C

InChI:

InChI=1/C11H15NO3/c1-8(12-11(13)15-3)9-4-6-10(14-2)7-5-9/h4-8H,1-3H3,(H,12,13)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.0369 kcal/mol

Physical Properties
Molecular Weight: 209.245 g/mol	logS: -1.98542	SlogP: 2.2077	Reactive groups: 0

Topological Properties
Globularity: 0.081	Sterimol/B1: 2.31582	Sterimol/B2: 2.4206	Sterimol/B3: 4.69469
Sterimol/B4: 5.62647	Sterimol/L: 14.7159

Surface and Volume Properties
Accessible surface: 445.821	Positive charged surface: 324.275	Negative charged surface: 121.545	Volume: 208.125
Hydrophobic surface: 356.731	Hydrophilic surface: 89.09

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

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.