MMsINC Database Search


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MMsINC code: MMs02281214

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

OCCN(C(=O)C1(CCCCC1)c1ccccc1)CC

InChI:

InChI=1/C17H25NO2/c1-2-18(13-14-19)16(20)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,19H,2,4,7-8,11-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.555 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -3.45832	SlogP: 2.7293	Reactive groups: 0

Topological Properties
Globularity: 0.527748	Sterimol/B1: 2.36335	Sterimol/B2: 4.12052	Sterimol/B3: 6.51955
Sterimol/B4: 6.66	Sterimol/L: 11.021

Surface and Volume Properties
Accessible surface: 486.845	Positive charged surface: 358.67	Negative charged surface: 128.175	Volume: 286.125
Hydrophobic surface: 421.184	Hydrophilic surface: 65.661

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.