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MMsINC code: MMs02845572

Type: Neutral
Formula: C₁₆H₁₂ClFN₂O₂

SMILES:

Clc1cc2c(N(C)C(=O)C(O)N=C2c2ccccc2F)cc1

InChI:

InChI=1/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.104 kcal/mol

Physical Properties
Molecular Weight: 318.735 g/mol	logS: -4.50486	SlogP: 2.6113	Reactive groups: 0

Topological Properties
Globularity: 0.236478	Sterimol/B1: 2.59293	Sterimol/B2: 5.00151	Sterimol/B3: 5.52746
Sterimol/B4: 6.69946	Sterimol/L: 12.7499

Surface and Volume Properties
Accessible surface: 504.746	Positive charged surface: 259.065	Negative charged surface: 245.68	Volume: 272.125
Hydrophobic surface: 408.274	Hydrophilic surface: 96.472

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.