MMsINC Database Search


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MMsINC code: MMs00618352

Type: Neutral
Formula: C₁₈H₂₆ClNO₂

SMILES:

Clc1c(cc(OCC(=O)NC2CCCCCCC2)cc1C)C

InChI:

InChI=1/C18H26ClNO2/c1-13-10-16(11-14(2)18(13)19)22-12-17(21)20-15-8-6-4-3-5-7-9-15/h10-11,15H,3-9,12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.403 kcal/mol

Physical Properties
Molecular Weight: 323.864 g/mol	logS: -5.16464	SlogP: 4.56474	Reactive groups: 0

Topological Properties
Globularity: 0.048322	Sterimol/B1: 2.40085	Sterimol/B2: 3.40307	Sterimol/B3: 4.40173
Sterimol/B4: 7.0512	Sterimol/L: 17.6317

Surface and Volume Properties
Accessible surface: 592.081	Positive charged surface: 382.406	Negative charged surface: 209.674	Volume: 323.875
Hydrophobic surface: 542.353	Hydrophilic surface: 49.728

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.