MMsINC Database Search


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MMsINC code: MMs02347014

Type: Neutral
Formula: C₂₁H₂₆Cl₂N₂O

SMILES:

ClCCN(CCCl)c1ccc(cc1)CCCC(=O)N(C)c1ccccc1

InChI:

InChI=1/C21H26Cl2N2O/c1-24(19-7-3-2-4-8-19)21(26)9-5-6-18-10-12-20(13-11-18)25(16-14-22)17-15-23/h2-4,7-8,10-13H,5-6,9,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.59 kcal/mol

Physical Properties
Molecular Weight: 393.358 g/mol	logS: -5.16546	SlogP: 4.95627	Reactive groups: 1

Topological Properties
Globularity: 0.0668215	Sterimol/B1: 2.23036	Sterimol/B2: 3.24507	Sterimol/B3: 5.47246
Sterimol/B4: 7.81306	Sterimol/L: 19.5303

Surface and Volume Properties
Accessible surface: 700.232	Positive charged surface: 399.914	Negative charged surface: 300.318	Volume: 383.625
Hydrophobic surface: 521.993	Hydrophilic surface: 178.239

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.