MMsINC Database Search


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MMsINC code: MMs01519510

Type: Neutral
Formula: C₁₈H₁₅Cl₂N₃O₃

SMILES:

Clc1ccccc1C1(NC(=O)N(CC(=O)Nc2cc(Cl)ccc2)C1=O)C

InChI:

InChI=1/C18H15Cl2N3O3/c1-18(13-7-2-3-8-14(13)20)16(25)23(17(26)22-18)10-15(24)21-12-6-4-5-11(19)9-12/h2-9H,10H2,1H3,(H,21,24)(H,22,26)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.902 kcal/mol

Physical Properties
Molecular Weight: 392.242 g/mol	logS: -5.59461	SlogP: 3.7106	Reactive groups: 0

Topological Properties
Globularity: 0.120272	Sterimol/B1: 2.86947	Sterimol/B2: 4.28681	Sterimol/B3: 4.731
Sterimol/B4: 7.53821	Sterimol/L: 15.662

Surface and Volume Properties
Accessible surface: 598.761	Positive charged surface: 287.585	Negative charged surface: 311.176	Volume: 330.5
Hydrophobic surface: 463.422	Hydrophilic surface: 135.339

Pharmacophoric Properties
Hydrogen bond donors: 2	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.