MMsINC Database Search


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MMsINC code: MMs02713740

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C1)c1ccccc1

InChI:

InChI=1/C17H14Cl2N2O2/c18-12-6-7-14(19)15(9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1312 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -4.73323	SlogP: 3.985	Reactive groups: 0

Topological Properties
Globularity: 0.0877847	Sterimol/B1: 3.63459	Sterimol/B2: 3.90325	Sterimol/B3: 4.33779
Sterimol/B4: 6.52888	Sterimol/L: 15.89

Surface and Volume Properties
Accessible surface: 565.596	Positive charged surface: 256.604	Negative charged surface: 308.991	Volume: 302.625
Hydrophobic surface: 508.607	Hydrophilic surface: 56.989

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.