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MMsINC code: MMs02343648

Type: Neutral
Formula: C₁₇H₂₆BrNO

SMILES:

Brc1ccc(cc1)C(=O)CCN(CCCC)CCCC

InChI:

InChI=1/C17H26BrNO/c1-3-5-12-19(13-6-4-2)14-11-17(20)15-7-9-16(18)10-8-15/h7-10H,3-6,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9913 kcal/mol

Physical Properties
Molecular Weight: 340.305 g/mol	logS: -4.64839	SlogP: 4.9241	Reactive groups: 0

Topological Properties
Globularity: 0.076276	Sterimol/B1: 2.51245	Sterimol/B2: 3.13367	Sterimol/B3: 3.85867
Sterimol/B4: 10.4358	Sterimol/L: 16.3575

Surface and Volume Properties
Accessible surface: 621.672	Positive charged surface: 383.374	Negative charged surface: 238.298	Volume: 325.625
Hydrophobic surface: 543.365	Hydrophilic surface: 78.307

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

MMs02343649
NCID-ZINC01718268