MMsINC Database Search


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MMsINC code: MMs02674536

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1cccc(C)c1NC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C14H12ClFN2O/c1-9-3-2-4-12(15)13(9)18-14(19)17-11-7-5-10(16)6-8-11/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)=86.2153 kcal/mol

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

Topological Properties
Globularity: 0.0664244	Sterimol/B1: 2.14954	Sterimol/B2: 2.78291	Sterimol/B3: 4.34479
Sterimol/B4: 6.54957	Sterimol/L: 14.5734

Surface and Volume Properties
Accessible surface: 479.489	Positive charged surface: 242.837	Negative charged surface: 236.653	Volume: 245.375
Hydrophobic surface: 438.554	Hydrophilic surface: 40.935

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.