MMsINC Database Search


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MMsINC code: MMs01420154

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(C)c1ccccc1CNC(=O)c1cccc(C)c1C

InChI:

InChI=1/C17H19NO2/c1-12-7-6-9-15(13(12)2)17(19)18-11-14-8-4-5-10-16(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)=78.3045 kcal/mol

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

Topological Properties
Globularity: 0.127596	Sterimol/B1: 3.83608	Sterimol/B2: 4.08857	Sterimol/B3: 4.43179
Sterimol/B4: 4.43389	Sterimol/L: 15.399

Surface and Volume Properties
Accessible surface: 528.272	Positive charged surface: 347.077	Negative charged surface: 181.194	Volume: 276.5
Hydrophobic surface: 491.75	Hydrophilic surface: 36.522

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.