MMsINC Database Search


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MMsINC code: MMs01227970

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(C)c1ccc(cc1)CCNC(=O)Cc1ccccc1

InChI:

InChI=1/C17H19NO2/c1-20-16-9-7-14(8-10-16)11-12-18-17(19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7182 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.47223	SlogP: 2.59654	Reactive groups: 0

Topological Properties
Globularity: 0.0589896	Sterimol/B1: 2.66656	Sterimol/B2: 3.36161	Sterimol/B3: 4.05716
Sterimol/B4: 5.33768	Sterimol/L: 18.351

Surface and Volume Properties
Accessible surface: 556.787	Positive charged surface: 375.4	Negative charged surface: 181.387	Volume: 281.25
Hydrophobic surface: 500.947	Hydrophilic surface: 55.84

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.