MMsINC Database Search


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MMsINC code: MMs01505589

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(C)c1cc(ccc1OC)CCC(=O)NCc1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9806 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -3.81698	SlogP: 3.52759	Reactive groups: 0

Topological Properties
Globularity: 0.0712494	Sterimol/B1: 2.26723	Sterimol/B2: 3.75514	Sterimol/B3: 5.73595
Sterimol/B4: 6.3224	Sterimol/L: 19.5223

Surface and Volume Properties
Accessible surface: 636.481	Positive charged surface: 452.571	Negative charged surface: 183.91	Volume: 321.625
Hydrophobic surface: 565.807	Hydrophilic surface: 70.674

Pharmacophoric Properties
Hydrogen bond donors: 1	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.