MMsINC Database Search


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MMsINC code: MMs02727825

Type: Neutral
Formula: C₁₉H₁₄ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H14ClFN2O4/c1-10-15(17(23-27-10)16-12(20)7-5-8-13(16)21)18(24)22-14-9-4-3-6-11(14)19(25)26-2/h3-9H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.169 kcal/mol

Physical Properties
Molecular Weight: 388.782 g/mol	logS: -6.12079	SlogP: 4.48142	Reactive groups: 0

Topological Properties
Globularity: 0.308894	Sterimol/B1: 2.20068	Sterimol/B2: 3.28757	Sterimol/B3: 6.21465
Sterimol/B4: 9.66245	Sterimol/L: 12.7148

Surface and Volume Properties
Accessible surface: 590.901	Positive charged surface: 311.035	Negative charged surface: 279.866	Volume: 332.875
Hydrophobic surface: 531.021	Hydrophilic surface: 59.88

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.