MMsINC Database Search


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MMsINC code: MMs01608338

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(CCOc1ccccc1)c1ccccc1C(=O)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0112 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.5321	SlogP: 2.2433	Reactive groups: 0

Topological Properties
Globularity: 0.0523613	Sterimol/B1: 3.22124	Sterimol/B2: 3.49887	Sterimol/B3: 4.61049
Sterimol/B4: 4.79383	Sterimol/L: 15.8519

Surface and Volume Properties
Accessible surface: 506.693	Positive charged surface: 312.618	Negative charged surface: 194.075	Volume: 250.25
Hydrophobic surface: 405.634	Hydrophilic surface: 101.059

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.