MMsINC Database Search


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MMsINC code: MMs01939354

Type: Neutral
Formula: C₁₉H₁₅ClFNO₄

SMILES:

Clc1cccc(F)c1CNC(=O)CC=1C(Oc2c(ccc(O)c2)C=1C)=O

InChI:

InChI=1/C19H15ClFNO4/c1-10-12-6-5-11(23)7-17(12)26-19(25)13(10)8-18(24)22-9-14-15(20)3-2-4-16(14)21/h2-7,23H,8-9H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3616 kcal/mol

Physical Properties
Molecular Weight: 375.783 g/mol	logS: -5.6007	SlogP: 3.8501	Reactive groups: 0

Topological Properties
Globularity: 0.0317323	Sterimol/B1: 2.19298	Sterimol/B2: 2.70828	Sterimol/B3: 3.91602
Sterimol/B4: 6.74838	Sterimol/L: 19.1019

Surface and Volume Properties
Accessible surface: 600.577	Positive charged surface: 299.047	Negative charged surface: 301.53	Volume: 321.75
Hydrophobic surface: 456.953	Hydrophilic surface: 143.624

Pharmacophoric Properties
Hydrogen bond donors: 2	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.