MMsINC Database Search


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MMsINC code: MMs01436648

Type: Neutral
Formula: C₁₉H₁₄ClFN₂O₃

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C19H14ClFN2O3/c1-10(24)12-5-3-6-13(9-12)22-19(25)16-11(2)26-23-18(16)17-14(20)7-4-8-15(17)21/h3-9H,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.55 kcal/mol

Physical Properties
Molecular Weight: 372.783 g/mol	logS: -6.05133	SlogP: 4.89742	Reactive groups: 0

Topological Properties
Globularity: 0.117481	Sterimol/B1: 2.3646	Sterimol/B2: 3.81244	Sterimol/B3: 3.93582
Sterimol/B4: 9.93557	Sterimol/L: 15.2164

Surface and Volume Properties
Accessible surface: 601.407	Positive charged surface: 280.083	Negative charged surface: 321.324	Volume: 323.125
Hydrophobic surface: 512.702	Hydrophilic surface: 88.705

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.