MMsINC Database Search


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MMsINC code: MMs01540439

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C18H16Cl2N2O2/c1-2-18(12-7-4-3-5-8-12)16(23)22(17(24)21-18)11-13-14(19)9-6-10-15(13)20/h3-10H,2,11H2,1H3,(H,21,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.123 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.56785	SlogP: 4.9286	Reactive groups: 0

Topological Properties
Globularity: 0.204759	Sterimol/B1: 2.0613	Sterimol/B2: 4.28132	Sterimol/B3: 4.7812
Sterimol/B4: 9.00657	Sterimol/L: 12.143

Surface and Volume Properties
Accessible surface: 534.23	Positive charged surface: 267.258	Negative charged surface: 266.972	Volume: 318.25
Hydrophobic surface: 455.614	Hydrophilic surface: 78.616

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.