MMsINC Database Search


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MMsINC code: MMs00800599

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)NC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6118 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.34929	SlogP: 2.8916	Reactive groups: 0

Topological Properties
Globularity: 0.0445903	Sterimol/B1: 2.51996	Sterimol/B2: 3.61744	Sterimol/B3: 3.61809
Sterimol/B4: 4.92226	Sterimol/L: 17.1351

Surface and Volume Properties
Accessible surface: 501.65	Positive charged surface: 313.952	Negative charged surface: 187.698	Volume: 244.375
Hydrophobic surface: 442.7	Hydrophilic surface: 58.95

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.