MMsINC Database Search


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MMsINC code: MMs01974694

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccc(cc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C15H15NO2/c17-14-8-6-13(7-9-14)15(18)16-11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.8937 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -2.99843	SlogP: 2.36467	Reactive groups: 0

Topological Properties
Globularity: 0.048243	Sterimol/B1: 3.60832	Sterimol/B2: 3.67665	Sterimol/B3: 3.68846
Sterimol/B4: 4.08169	Sterimol/L: 17.0554

Surface and Volume Properties
Accessible surface: 496.947	Positive charged surface: 289.348	Negative charged surface: 207.599	Volume: 245.125
Hydrophobic surface: 401.69	Hydrophilic surface: 95.257

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