MMsINC Database Search


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MMsINC code: MMs02362885

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cc(C)c(OC(=O)Nc2ccccc2F)cc1

InChI:

InChI=1/C14H11ClFNO2/c1-9-8-10(15)6-7-13(9)19-14(18)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.949 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.58586	SlogP: 4.39842	Reactive groups: 0

Topological Properties
Globularity: 0.0849272	Sterimol/B1: 2.22722	Sterimol/B2: 2.61133	Sterimol/B3: 3.98213
Sterimol/B4: 5.99006	Sterimol/L: 15.3558

Surface and Volume Properties
Accessible surface: 480.576	Positive charged surface: 225.819	Negative charged surface: 254.757	Volume: 243.25
Hydrophobic surface: 439.251	Hydrophilic surface: 41.325

Pharmacophoric Properties
Hydrogen bond donors: 1	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.