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MMsINC code: MMs02302691

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7617 kcal/mol

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

Topological Properties
Globularity: 0.136992	Sterimol/B1: 3.02447	Sterimol/B2: 3.52185	Sterimol/B3: 3.6873
Sterimol/B4: 4.45867	Sterimol/L: 14.2579

Surface and Volume Properties
Accessible surface: 447.53	Positive charged surface: 252.89	Negative charged surface: 194.64	Volume: 240.125
Hydrophobic surface: 351.819	Hydrophilic surface: 95.711

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

MMs02302692
NCID-ZINC01666487