MMsINC Database Search


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MMsINC code: MMs00722132

Type: Neutral
Formula: C₁₉H₂₆ClNO

SMILES:

Clc1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C19H26ClNO/c20-16-13-11-15(12-14-16)19(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=320.635 kcal/mol

Physical Properties
Molecular Weight: 319.876 g/mol	logS: -5.10159	SlogP: 5.4476	Reactive groups: 0

Topological Properties
Globularity: 0.161394	Sterimol/B1: 3.15072	Sterimol/B2: 3.31621	Sterimol/B3: 4.25954
Sterimol/B4: 7.69534	Sterimol/L: 14.2037

Surface and Volume Properties
Accessible surface: 538.1	Positive charged surface: 339.294	Negative charged surface: 198.806	Volume: 314.5
Hydrophobic surface: 521.101	Hydrophilic surface: 16.999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.