MMsINC Database Search


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MMsINC code: MMs00630703

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(C)c1ccccc1CNC(=O)c1ccc(cc1C)C

InChI:

InChI=1/C17H19NO2/c1-12-8-9-15(13(2)10-12)17(19)18-11-14-6-4-5-7-16(14)20-3/h4-10H,11H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9207 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -4.29713	SlogP: 3.50844	Reactive groups: 0

Topological Properties
Globularity: 0.124053	Sterimol/B1: 2.54352	Sterimol/B2: 3.75719	Sterimol/B3: 5.43126
Sterimol/B4: 6.37211	Sterimol/L: 15.1786

Surface and Volume Properties
Accessible surface: 537.234	Positive charged surface: 355.667	Negative charged surface: 181.567	Volume: 278.25
Hydrophobic surface: 501.399	Hydrophilic surface: 35.835

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.