MMsINC Database Search


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MMsINC code: MMs02976118

Type: Neutral
Formula: C₂₀H₂₅NO₂

SMILES:

O(CCCC)CCCNC(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H25NO2/c1-2-3-15-23-16-7-14-21-20(22)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3046 kcal/mol

Physical Properties
Molecular Weight: 311.425 g/mol	logS: -5.346	SlogP: 4.2902	Reactive groups: 0

Topological Properties
Globularity: 0.00619289	Sterimol/B1: 2.37587	Sterimol/B2: 2.37601	Sterimol/B3: 3.31765
Sterimol/B4: 6.31011	Sterimol/L: 23.347

Surface and Volume Properties
Accessible surface: 653.367	Positive charged surface: 421.024	Negative charged surface: 220.685	Volume: 332.375
Hydrophobic surface: 580.363	Hydrophilic surface: 73.004

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.