MMsINC Database Search


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MMsINC code: MMs02918324

Type: Neutral
Formula: C₁₃H₁₆ClFN₂O

SMILES:

Clc1cc(F)c(NC(=O)NC2CCCCC2)cc1

InChI:

InChI=1/C13H16ClFN2O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.7089 kcal/mol

Physical Properties
Molecular Weight: 270.735 g/mol	logS: -3.9286	SlogP: 3.9333	Reactive groups: 0

Topological Properties
Globularity: 0.0676278	Sterimol/B1: 2.48466	Sterimol/B2: 2.96283	Sterimol/B3: 4.20873
Sterimol/B4: 5.30592	Sterimol/L: 16.1057

Surface and Volume Properties
Accessible surface: 486.778	Positive charged surface: 287.496	Negative charged surface: 199.282	Volume: 245
Hydrophobic surface: 433.221	Hydrophilic surface: 53.557

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.