MMsINC Database Search


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MMsINC code: MMs02215781

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1cc(C)c(NC(=O)Nc2cc(F)ccc2)cc1

InChI:

InChI=1/C14H12ClFN2O/c1-9-7-10(15)5-6-13(9)18-14(19)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3342 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.44179	SlogP: 4.43152	Reactive groups: 0

Topological Properties
Globularity: 0.0451277	Sterimol/B1: 2.11028	Sterimol/B2: 2.63391	Sterimol/B3: 3.50265
Sterimol/B4: 6.61082	Sterimol/L: 15.4293

Surface and Volume Properties
Accessible surface: 487.834	Positive charged surface: 235.453	Negative charged surface: 252.381	Volume: 248.75
Hydrophobic surface: 439.836	Hydrophilic surface: 47.998

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.