MMsINC Database Search


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MMsINC code: MMs00229069

Type: Neutral
Formula: C₁₇H₁₃Cl₂FN₂O₂

SMILES:

Clc1c(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)cccc1Cl

InChI:

InChI=1/C17H13Cl2FN2O2/c18-13-2-1-3-14(16(13)19)21-17(24)10-8-15(23)22(9-10)12-6-4-11(20)5-7-12/h1-7,10H,8-9H2,(H,21,24)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4834 kcal/mol

Physical Properties
Molecular Weight: 367.207 g/mol	logS: -5.02821	SlogP: 4.1241	Reactive groups: 0

Topological Properties
Globularity: 0.0841502	Sterimol/B1: 2.50575	Sterimol/B2: 3.41695	Sterimol/B3: 3.9878
Sterimol/B4: 7.17759	Sterimol/L: 17.2962

Surface and Volume Properties
Accessible surface: 562.743	Positive charged surface: 250.863	Negative charged surface: 311.88	Volume: 305.875
Hydrophobic surface: 505.97	Hydrophilic surface: 56.773

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.