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MMsINC code: MMs02154422

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O

SMILES:

Clc1cc(Cl)ccc1C(=O)N1CCc2[nH]c3c(cc(F)cc3)c2C1

InChI:

InChI=1/C18H13Cl2FN2O/c19-10-1-3-12(15(20)7-10)18(24)23-6-5-17-14(9-23)13-8-11(21)2-4-16(13)22-17/h1-4,7-8,22H,5-6,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7363 kcal/mol

Physical Properties
Molecular Weight: 363.219 g/mol	logS: -5.58317	SlogP: 5.07867	Reactive groups: 0

Topological Properties
Globularity: 0.107725	Sterimol/B1: 3.43622	Sterimol/B2: 3.81207	Sterimol/B3: 4.13688
Sterimol/B4: 7.32638	Sterimol/L: 14.1216

Surface and Volume Properties
Accessible surface: 553.455	Positive charged surface: 254.698	Negative charged surface: 293.432	Volume: 305.125
Hydrophobic surface: 500.916	Hydrophilic surface: 52.539

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.