MMsINC Database Search


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MMsINC code: MMs02686944

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(C)c1cccc(OC)c1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H23NO3/c1-14(12-13-15-8-5-4-6-9-15)20-19(21)18-16(22-2)10-7-11-17(18)23-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9944 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -3.99012	SlogP: 3.45487	Reactive groups: 0

Topological Properties
Globularity: 0.112663	Sterimol/B1: 2.08833	Sterimol/B2: 3.09969	Sterimol/B3: 5.34594
Sterimol/B4: 8.83551	Sterimol/L: 15.7384

Surface and Volume Properties
Accessible surface: 597.281	Positive charged surface: 417.686	Negative charged surface: 179.595	Volume: 321.625
Hydrophobic surface: 540.153	Hydrophilic surface: 57.128

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.