MMsINC Database Search


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MMsINC code: MMs00786614

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₃

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(=O)N1CCOCC1

InChI:

InChI=1/C19H18ClFN2O3/c20-15-5-3-6-16(21)14(15)12-18(24)22-17-7-2-1-4-13(17)19(25)23-8-10-26-11-9-23/h1-7H,8-12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.226 kcal/mol

Physical Properties
Molecular Weight: 376.815 g/mol	logS: -4.77723	SlogP: 3.13267	Reactive groups: 0

Topological Properties
Globularity: 0.0810429	Sterimol/B1: 2.54182	Sterimol/B2: 3.68767	Sterimol/B3: 4.56896
Sterimol/B4: 8.45993	Sterimol/L: 16.2844

Surface and Volume Properties
Accessible surface: 603.378	Positive charged surface: 357.323	Negative charged surface: 246.055	Volume: 332
Hydrophobic surface: 541.992	Hydrophilic surface: 61.386

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.