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MMsINC code: MMs03456290

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

Oc1ccc(cc1)C(N)C(OCc1ccccc1)=O

InChI:

InChI=1/C15H15NO3/c16-14(12-6-8-13(17)9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7085 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -2.86392	SlogP: 2.4973	Reactive groups: 0

Topological Properties
Globularity: 0.0894431	Sterimol/B1: 3.26878	Sterimol/B2: 3.37566	Sterimol/B3: 3.66273
Sterimol/B4: 6.36844	Sterimol/L: 14.0628

Surface and Volume Properties
Accessible surface: 510.921	Positive charged surface: 298.514	Negative charged surface: 212.407	Volume: 249.75
Hydrophobic surface: 372.47	Hydrophilic surface: 138.451

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.