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MMsINC code: MMs00978735

Type: Neutral
Formula: C₁₈H₁₅Cl₂FN₂O

SMILES:

Clc1cc(N2C(N3C(CCC3)C2=O)c2ccccc2F)ccc1Cl

InChI:

InChI=1/C18H15Cl2FN2O/c19-13-8-7-11(10-14(13)20)23-17(12-4-1-2-5-15(12)21)22-9-3-6-16(22)18(23)24/h1-2,4-5,7-8,10,16-17H,3,6,9H2/t16-,17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3615 kcal/mol

Physical Properties
Molecular Weight: 365.235 g/mol	logS: -5.49228	SlogP: 4.7378	Reactive groups: 0

Topological Properties
Globularity: 0.184322	Sterimol/B1: 2.48004	Sterimol/B2: 3.8667	Sterimol/B3: 5.29808
Sterimol/B4: 7.40107	Sterimol/L: 13.6785

Surface and Volume Properties
Accessible surface: 529.376	Positive charged surface: 254.772	Negative charged surface: 274.604	Volume: 309.125
Hydrophobic surface: 492.856	Hydrophilic surface: 36.52

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.