MMsINC Database Search


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MMsINC code: MMs02629195

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(Cl)cc2)ccc1

InChI:

InChI=1/C17H14Cl2N2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/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)=67.4291 kcal/mol

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

Topological Properties
Globularity: 0.0856972	Sterimol/B1: 3.48074	Sterimol/B2: 3.9436	Sterimol/B3: 5.35612
Sterimol/B4: 5.46819	Sterimol/L: 16.9359

Surface and Volume Properties
Accessible surface: 569.718	Positive charged surface: 258.726	Negative charged surface: 310.992	Volume: 302.625
Hydrophobic surface: 505.868	Hydrophilic surface: 63.85

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.