MMsINC Database Search


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MMsINC code: MMs02335218

Type: Neutral
Formula: C₁₆H₂₃NO₂

SMILES:

O(C(=O)c1ccccc1)CCCN1CCC(CC1)C

InChI:

InChI=1/C16H23NO2/c1-14-8-11-17(12-9-14)10-5-13-19-16(18)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.728 kcal/mol

Physical Properties
Molecular Weight: 261.365 g/mol	logS: -3.13564	SlogP: 2.9654	Reactive groups: 0

Topological Properties
Globularity: 0.0246946	Sterimol/B1: 3.10569	Sterimol/B2: 3.11478	Sterimol/B3: 3.32262
Sterimol/B4: 5.28883	Sterimol/L: 18.3507

Surface and Volume Properties
Accessible surface: 546.279	Positive charged surface: 397.18	Negative charged surface: 149.099	Volume: 279.375
Hydrophobic surface: 485.124	Hydrophilic surface: 61.155

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

MMs02335219
NCID-ZINC01706776