MMsINC Database Search


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MMsINC code: MMs00059845

Type: Neutral
Formula: C₁₇H₁₇NO₂

SMILES:

O(C)c1ccc(cc1)CC(=O)N1CCc2c1cccc2

InChI:

InChI=1/C17H17NO2/c1-20-15-8-6-13(7-9-15)12-17(19)18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.527 kcal/mol

Physical Properties
Molecular Weight: 267.328 g/mol	logS: -3.5446	SlogP: 2.82694	Reactive groups: 0

Topological Properties
Globularity: 0.0613539	Sterimol/B1: 2.68101	Sterimol/B2: 4.25077	Sterimol/B3: 4.72759
Sterimol/B4: 4.9712	Sterimol/L: 16.6006

Surface and Volume Properties
Accessible surface: 511.608	Positive charged surface: 344.209	Negative charged surface: 167.399	Volume: 266.75
Hydrophobic surface: 472.066	Hydrophilic surface: 39.542

Pharmacophoric Properties
Hydrogen bond donors: 0	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.