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MMsINC code: MMs03039207

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

OC(=O)C(N)(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H15NO2/c16-15(14(17)18,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,16H2,(H,17,18)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.476 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -2.87501	SlogP: 2.47937	Reactive groups: 0

Topological Properties
Globularity: 0.161987	Sterimol/B1: 3.07789	Sterimol/B2: 3.41523	Sterimol/B3: 3.71403
Sterimol/B4: 5.0599	Sterimol/L: 14.2288

Surface and Volume Properties
Accessible surface: 453.964	Positive charged surface: 254.442	Negative charged surface: 199.521	Volume: 239.75
Hydrophobic surface: 355.643	Hydrophilic surface: 98.321

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03039208
PUBCHEM-ZINC03677091