MMsINC Database Search


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MMsINC code: MMs00135986

Type: Neutral
Formula: C₁₄H₁₆ClF₂NO

SMILES:

Clc1ccc(C(=O)N2CCCCC2CC)c(F)c1F

InChI:

InChI=1/C14H16ClF2NO/c1-2-9-5-3-4-8-18(9)14(19)10-6-7-11(15)13(17)12(10)16/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.856 kcal/mol

Physical Properties
Molecular Weight: 287.737 g/mol	logS: -4.0324	SlogP: 4.0229	Reactive groups: 0

Topological Properties
Globularity: 0.094118	Sterimol/B1: 2.55428	Sterimol/B2: 2.67981	Sterimol/B3: 3.38306
Sterimol/B4: 6.6488	Sterimol/L: 13.9973

Surface and Volume Properties
Accessible surface: 473.325	Positive charged surface: 263.763	Negative charged surface: 209.563	Volume: 252.75
Hydrophobic surface: 431.861	Hydrophilic surface: 41.464

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.