MMsINC Database Search


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MMsINC code: MMs00675153

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₂

SMILES:

Clc1ccccc1C(=O)N1CCC(CC1)C(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C19H18ClFN2O2/c20-17-7-2-1-6-16(17)19(25)23-10-8-13(9-11-23)18(24)22-15-5-3-4-14(21)12-15/h1-7,12-13H,8-11H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3765 kcal/mol

Physical Properties
Molecular Weight: 360.816 g/mol	logS: -4.75958	SlogP: 3.97	Reactive groups: 0

Topological Properties
Globularity: 0.0686567	Sterimol/B1: 2.98684	Sterimol/B2: 3.1529	Sterimol/B3: 5.73397
Sterimol/B4: 5.87854	Sterimol/L: 17.4838

Surface and Volume Properties
Accessible surface: 588.136	Positive charged surface: 318.76	Negative charged surface: 269.377	Volume: 323.125
Hydrophobic surface: 529.554	Hydrophilic surface: 58.582

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.