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MMsINC code: MMs00956285

Type: Neutral
Formula: C₂₀H₂₄Cl₂N₄O

SMILES:

Clc1ccccc1NC(=O)NCCN1CCN(CC1)c1cc(Cl)ccc1C

InChI:

InChI=1/C20H24Cl2N4O/c1-15-6-7-16(21)14-19(15)26-12-10-25(11-13-26)9-8-23-20(27)24-18-5-3-2-4-17(18)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)=133.768 kcal/mol

Physical Properties
Molecular Weight: 407.345 g/mol	logS: -4.82572	SlogP: 4.24552	Reactive groups: 0

Topological Properties
Globularity: 0.0431375	Sterimol/B1: 2.32458	Sterimol/B2: 3.29929	Sterimol/B3: 5.97121
Sterimol/B4: 6.5213	Sterimol/L: 20.7887

Surface and Volume Properties
Accessible surface: 689.538	Positive charged surface: 402.748	Negative charged surface: 286.79	Volume: 378
Hydrophobic surface: 620.664	Hydrophilic surface: 68.874

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

MMs00956286
CHEMDIV-ZINC04791633