MMsINC Database Search


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MMsINC code: MMs00599711

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C

InChI:

InChI=1/C17H19NO2/c1-13(11-14-7-4-3-5-8-14)18-17(19)15-9-6-10-16(12-15)20-2/h3-10,12-13H,11H2,1-2H3,(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9523 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.73797	SlogP: 3.05617	Reactive groups: 0

Topological Properties
Globularity: 0.107273	Sterimol/B1: 1.969	Sterimol/B2: 3.70492	Sterimol/B3: 3.91078
Sterimol/B4: 8.8219	Sterimol/L: 14.6622

Surface and Volume Properties
Accessible surface: 529.688	Positive charged surface: 336.587	Negative charged surface: 193.101	Volume: 278.625
Hydrophobic surface: 469.033	Hydrophilic surface: 60.655

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.