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MMsINC code: MMs03197008

Type: Neutral
Formula: C₂₀H₂₄Cl₂N₄O

SMILES:

Clc1ccc(Cl)cc1N1CCN(CC1)CCNC(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C20H24Cl2N4O/c1-15-2-5-17(6-3-15)24-20(27)23-8-9-25-10-12-26(13-11-25)19-14-16(21)4-7-18(19)22/h2-7,14H,8-13H2,1H3,(H2,23,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.979 kcal/mol

Physical Properties
Molecular Weight: 407.345 g/mol	logS: -5.13917	SlogP: 4.24552	Reactive groups: 0

Topological Properties
Globularity: 0.0298471	Sterimol/B1: 3.81315	Sterimol/B2: 3.82914	Sterimol/B3: 3.91586
Sterimol/B4: 5.71667	Sterimol/L: 21.7625

Surface and Volume Properties
Accessible surface: 695.86	Positive charged surface: 413.318	Negative charged surface: 282.543	Volume: 381
Hydrophobic surface: 617.789	Hydrophilic surface: 78.071

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03197009
PUBCHEM-ZINC05069385