MMsINC Database Search


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MMsINC code: MMs02148012

Type: Neutral
Formula: C₁₆H₁₄Cl₄N₂O₂

SMILES:

ClC1(Cl)CC1CCNC(=O)c1c(noc1C)-c1c(Cl)cccc1Cl

InChI:

InChI=1/C16H14Cl4N2O2/c1-8-12(15(23)21-6-5-9-7-16(9,19)20)14(22-24-8)13-10(17)3-2-4-11(13)18/h2-4,9H,5-7H2,1H3,(H,21,23)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9569 kcal/mol

Physical Properties
Molecular Weight: 408.112 g/mol	logS: -6.56974	SlogP: 5.69042	Reactive groups: 0

Topological Properties
Globularity: 0.125747	Sterimol/B1: 2.36168	Sterimol/B2: 4.64218	Sterimol/B3: 4.80516
Sterimol/B4: 9.98803	Sterimol/L: 14.2864

Surface and Volume Properties
Accessible surface: 618.989	Positive charged surface: 234.833	Negative charged surface: 384.156	Volume: 334.125
Hydrophobic surface: 432.175	Hydrophilic surface: 186.814

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.