MMsINC Database Search


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MMsINC code: MMs01432000

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CC(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H23NO2/c1-15(8-9-16-6-4-3-5-7-16)20-19(21)14-17-10-12-18(22-2)13-11-17/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.679 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.00121	SlogP: 3.37514	Reactive groups: 0

Topological Properties
Globularity: 0.0513359	Sterimol/B1: 2.0976	Sterimol/B2: 3.67734	Sterimol/B3: 3.74681
Sterimol/B4: 7.1537	Sterimol/L: 19.9197

Surface and Volume Properties
Accessible surface: 601.591	Positive charged surface: 403.982	Negative charged surface: 197.609	Volume: 315
Hydrophobic surface: 541.238	Hydrophilic surface: 60.353

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.