MMsINC Database Search


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MMsINC code: MMs01181031

Type: Neutral
Formula: C₁₉H₂₁NO₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C19H21NO2/c1-14(2)20(13-15-6-4-3-5-7-15)19(21)17-8-9-18-16(12-17)10-11-22-18/h3-9,12,14H,10-11,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=262.754 kcal/mol

Physical Properties
Molecular Weight: 295.382 g/mol	logS: -4.08159	SlogP: 3.93867	Reactive groups: 0

Topological Properties
Globularity: 0.173569	Sterimol/B1: 2.18397	Sterimol/B2: 4.0362	Sterimol/B3: 4.26663
Sterimol/B4: 8.50223	Sterimol/L: 13.6533

Surface and Volume Properties
Accessible surface: 519.648	Positive charged surface: 338.887	Negative charged surface: 180.761	Volume: 295.125
Hydrophobic surface: 439.713	Hydrophilic surface: 79.935

Pharmacophoric Properties
Hydrogen bond donors: 0	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.