MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02984387

Type: Neutral
Formula: C₁₉H₂₆Cl₂N₂O₂

SMILES:

Clc1ccc(cc1)C(N(C(=O)CCl)CCCC)C(=O)NC1CCCC1

InChI:

InChI=1/C19H26Cl2N2O2/c1-2-3-12-23(17(24)13-20)18(14-8-10-15(21)11-9-14)19(25)22-16-6-4-5-7-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,22,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4799 kcal/mol

Physical Properties
Molecular Weight: 385.335 g/mol	logS: -5.09728	SlogP: 4.4029	Reactive groups: 1

Topological Properties
Globularity: 0.164302	Sterimol/B1: 2.34715	Sterimol/B2: 3.83179	Sterimol/B3: 7.92664
Sterimol/B4: 8.00287	Sterimol/L: 16.0281

Surface and Volume Properties
Accessible surface: 640.421	Positive charged surface: 369.516	Negative charged surface: 270.905	Volume: 365.875
Hydrophobic surface: 508.183	Hydrophilic surface: 132.238

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.