MMsINC Database Search


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MMsINC code: MMs00730270

Type: Neutral
Formula: C₁₁H₁₅NO₃

SMILES:

O(C)c1ccc(cc1)C(=O)NCCOC

InChI:

InChI=1/C11H15NO3/c1-14-8-7-12-11(13)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4669 kcal/mol

Physical Properties
Molecular Weight: 209.245 g/mol	logS: -1.72403	SlogP: 1.0714	Reactive groups: 0

Topological Properties
Globularity: 0.0250934	Sterimol/B1: 2.12691	Sterimol/B2: 2.3603	Sterimol/B3: 3.36383
Sterimol/B4: 6.46862	Sterimol/L: 14.6871

Surface and Volume Properties
Accessible surface: 454.401	Positive charged surface: 347.086	Negative charged surface: 107.315	Volume: 207.375
Hydrophobic surface: 395.41	Hydrophilic surface: 58.991

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.