MMsINC Database Search


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MMsINC code: MMs00304775

Type: Neutral
Formula: C₁₆H₁₄Cl₄N₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NC(Nc1ccc(OC)cc1)C(Cl)(Cl)Cl

InChI:

InChI=1/C16H14Cl4N2O2/c1-24-13-8-6-12(7-9-13)21-15(16(18,19)20)22-14(23)10-2-4-11(17)5-3-10/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9262 kcal/mol

Physical Properties
Molecular Weight: 408.112 g/mol	logS: -6.19497	SlogP: 5.3067	Reactive groups: 0

Topological Properties
Globularity: 0.0915779	Sterimol/B1: 2.89341	Sterimol/B2: 3.12299	Sterimol/B3: 4.29734
Sterimol/B4: 8.24193	Sterimol/L: 17.0441

Surface and Volume Properties
Accessible surface: 617.477	Positive charged surface: 247.626	Negative charged surface: 369.851	Volume: 336
Hydrophobic surface: 420.969	Hydrophilic surface: 196.508

Pharmacophoric Properties
Hydrogen bond donors: 2	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.