MMsINC Database Search


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MMsINC code: MMs01613023

Type: Neutral
Formula: C₁₈H₁₉ClFNO

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(C)(C)C

InChI:

InChI=1/C18H19ClFNO/c1-18(2,3)13-7-4-5-10-16(13)21-17(22)11-12-14(19)8-6-9-15(12)20/h4-10H,11H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.163 kcal/mol

Physical Properties
Molecular Weight: 319.807 g/mol	logS: -6.15174	SlogP: 4.95777	Reactive groups: 0

Topological Properties
Globularity: 0.0997808	Sterimol/B1: 3.24568	Sterimol/B2: 3.86201	Sterimol/B3: 4.3898
Sterimol/B4: 6.68588	Sterimol/L: 14.9957

Surface and Volume Properties
Accessible surface: 538.477	Positive charged surface: 283.453	Negative charged surface: 255.024	Volume: 303.375
Hydrophobic surface: 477.038	Hydrophilic surface: 61.439

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.