MMsINC Database Search


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MMsINC code: MMs01264239

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccc(Cl)cc1

InChI:

InChI=1/C17H14Cl2N2O2/c1-17(12-6-8-13(18)9-7-12)15(22)21(16(23)20-17)10-11-4-2-3-5-14(11)19/h2-9H,10H2,1H3,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5641 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -5.36608	SlogP: 4.5385	Reactive groups: 0

Topological Properties
Globularity: 0.213335	Sterimol/B1: 2.46616	Sterimol/B2: 3.91441	Sterimol/B3: 4.47311
Sterimol/B4: 8.44776	Sterimol/L: 12.4888

Surface and Volume Properties
Accessible surface: 533.578	Positive charged surface: 251.518	Negative charged surface: 282.06	Volume: 303.25
Hydrophobic surface: 440.541	Hydrophilic surface: 93.037

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.