MMsINC Database Search


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MMsINC code: MMs01974697

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

Oc1ccc(cc1)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C15H15NO2/c1-2-11-5-3-4-6-14(11)16-15(18)12-7-9-13(17)10-8-12/h3-10,17H,2H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0083 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.66861	SlogP: 3.20687	Reactive groups: 0

Topological Properties
Globularity: 0.0309622	Sterimol/B1: 2.1929	Sterimol/B2: 2.49621	Sterimol/B3: 3.42463
Sterimol/B4: 7.35422	Sterimol/L: 14.5958

Surface and Volume Properties
Accessible surface: 474.444	Positive charged surface: 271.808	Negative charged surface: 202.637	Volume: 242
Hydrophobic surface: 373.622	Hydrophilic surface: 100.822

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.