MMsINC Database Search


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MMsINC code: MMs00696323

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CCCC(=O)NCCc1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C19H23NO2/c1-16-7-5-10-18(15-16)22-14-6-11-19(21)20-13-12-17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0519 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.99481	SlogP: 3.51289	Reactive groups: 0

Topological Properties
Globularity: 0.0222119	Sterimol/B1: 2.40156	Sterimol/B2: 3.61662	Sterimol/B3: 3.61938
Sterimol/B4: 5.7614	Sterimol/L: 21.7697

Surface and Volume Properties
Accessible surface: 627.02	Positive charged surface: 403.463	Negative charged surface: 223.558	Volume: 316.375
Hydrophobic surface: 571.65	Hydrophilic surface: 55.37

Pharmacophoric Properties
Hydrogen bond donors: 1	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.