MMsINC Database Search


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MMsINC code: MMs01608334

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

O(Cc1ccc(cc1)C)c1ccccc1C(=O)N

InChI:

InChI=1/C15H15NO2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3,(H2,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8559 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.9292	SlogP: 2.93932	Reactive groups: 0

Topological Properties
Globularity: 0.0617104	Sterimol/B1: 3.61586	Sterimol/B2: 3.62093	Sterimol/B3: 4.63988
Sterimol/B4: 5.14101	Sterimol/L: 15.1072

Surface and Volume Properties
Accessible surface: 487.984	Positive charged surface: 291.372	Negative charged surface: 196.611	Volume: 244.125
Hydrophobic surface: 387.983	Hydrophilic surface: 100.001

Pharmacophoric Properties
Hydrogen bond donors: 1	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.