MMsINC Database Search


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MMsINC code: MMs02047702

Type: Neutral
Formula: C₁₇H₁₅Cl₂N₃O₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)NC1CC(=O)N(C1)c1ccccc1

InChI:

InChI=1/C17H15Cl2N3O2/c18-11-6-7-14(19)15(8-11)21-17(24)20-12-9-16(23)22(10-12)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H2,20,21,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4061 kcal/mol

Physical Properties
Molecular Weight: 364.232 g/mol	logS: -4.81797	SlogP: 3.9204	Reactive groups: 0

Topological Properties
Globularity: 0.0521782	Sterimol/B1: 3.43506	Sterimol/B2: 4.98849	Sterimol/B3: 5.0386
Sterimol/B4: 5.11226	Sterimol/L: 18.7021

Surface and Volume Properties
Accessible surface: 595.358	Positive charged surface: 283.601	Negative charged surface: 311.757	Volume: 315.25
Hydrophobic surface: 506.862	Hydrophilic surface: 88.496

Pharmacophoric Properties
Hydrogen bond donors: 2	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.