MMsINC Database Search


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MMsINC code: MMs00498020

Type: Neutral
Formula: C₁₆H₁₅ClFNO

SMILES:

Clc1c(c2CN(COc2cc1C)c1ccc(F)cc1)C

InChI:

InChI=1/C16H15ClFNO/c1-10-7-15-14(11(2)16(10)17)8-19(9-20-15)13-5-3-12(18)4-6-13/h3-7H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.575 kcal/mol

Physical Properties
Molecular Weight: 291.753 g/mol	logS: -4.33512	SlogP: 4.71884	Reactive groups: 0

Topological Properties
Globularity: 0.0234836	Sterimol/B1: 2.62687	Sterimol/B2: 2.97618	Sterimol/B3: 3.14396
Sterimol/B4: 5.55282	Sterimol/L: 15.3458

Surface and Volume Properties
Accessible surface: 490.587	Positive charged surface: 257.299	Negative charged surface: 233.288	Volume: 265.125
Hydrophobic surface: 462.157	Hydrophilic surface: 28.43

Pharmacophoric Properties
Hydrogen bond donors: 0	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.