MMsINC Database Search


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MMsINC code: MMs00346128

Type: Neutral
Formula: C₁₉H₁₉NO₃

SMILES:

O1CCCOC12c1cc(ccc1N(Cc1ccccc1)C2=O)C

InChI:

InChI=1/C19H19NO3/c1-14-8-9-17-16(12-14)19(22-10-5-11-23-19)18(21)20(17)13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.752 kcal/mol

Physical Properties
Molecular Weight: 309.365 g/mol	logS: -4.53705	SlogP: 3.70942	Reactive groups: 0

Topological Properties
Globularity: 0.156522	Sterimol/B1: 2.37489	Sterimol/B2: 3.14365	Sterimol/B3: 4.54041
Sterimol/B4: 9.87321	Sterimol/L: 12.3033

Surface and Volume Properties
Accessible surface: 539.936	Positive charged surface: 353.129	Negative charged surface: 186.807	Volume: 303.125
Hydrophobic surface: 499.803	Hydrophilic surface: 40.133

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.