MMsINC Database Search


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MMsINC code: MMs00238703

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)Nc1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9514 kcal/mol

Physical Properties
Molecular Weight: 360.816 g/mol	logS: -4.75958	SlogP: 4.6059	Reactive groups: 0

Topological Properties
Globularity: 0.0551186	Sterimol/B1: 2.44395	Sterimol/B2: 3.36209	Sterimol/B3: 4.28481
Sterimol/B4: 4.9028	Sterimol/L: 20.3897

Surface and Volume Properties
Accessible surface: 594.539	Positive charged surface: 310.282	Negative charged surface: 284.257	Volume: 324.75
Hydrophobic surface: 532.926	Hydrophilic surface: 61.613

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.