MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02335769

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

OCC(NC(=O)c1ccccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C17H19NO2/c1-13-7-9-14(10-8-13)11-16(12-19)18-17(20)15-5-3-2-4-6-15/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2609 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.63176	SlogP: 2.32839	Reactive groups: 0

Topological Properties
Globularity: 0.150652	Sterimol/B1: 2.31065	Sterimol/B2: 3.59884	Sterimol/B3: 3.97985
Sterimol/B4: 8.88407	Sterimol/L: 13.1458

Surface and Volume Properties
Accessible surface: 530.331	Positive charged surface: 323.903	Negative charged surface: 206.428	Volume: 280
Hydrophobic surface: 456.163	Hydrophilic surface: 74.168

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.