MMsINC Database Search


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MMsINC code: MMs00656806

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1NC(=O)C1C(=O)CN(C1=O)c1ccccc1

InChI:

InChI=1/C17H12Cl2N2O3/c18-11-7-4-8-12(19)15(11)20-16(23)14-13(22)9-21(17(14)24)10-5-2-1-3-6-10/h1-8,14H,9H2,(H,20,23)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.164 kcal/mol

Physical Properties
Molecular Weight: 363.2 g/mol	logS: -5.18266	SlogP: 3.164	Reactive groups: 0

Topological Properties
Globularity: 0.0639947	Sterimol/B1: 2.45952	Sterimol/B2: 3.35383	Sterimol/B3: 4.79611
Sterimol/B4: 5.73043	Sterimol/L: 16.321

Surface and Volume Properties
Accessible surface: 549.644	Positive charged surface: 253.902	Negative charged surface: 295.742	Volume: 303.625
Hydrophobic surface: 461.332	Hydrophilic surface: 88.312

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.