MMsINC Database Search


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MMsINC code: MMs00681558

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(cc1)C(C)C

InChI:

InChI=1/C20H18ClFN2O2/c1-11(2)13-7-9-14(10-8-13)23-20(25)17-12(3)26-24-19(17)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.441 kcal/mol

Physical Properties
Molecular Weight: 372.827 g/mol	logS: -7.24342	SlogP: 5.81822	Reactive groups: 0

Topological Properties
Globularity: 0.0870739	Sterimol/B1: 2.23076	Sterimol/B2: 3.4935	Sterimol/B3: 4.16152
Sterimol/B4: 10.3148	Sterimol/L: 15.7721

Surface and Volume Properties
Accessible surface: 620.175	Positive charged surface: 316.76	Negative charged surface: 303.415	Volume: 339.5
Hydrophobic surface: 534.423	Hydrophilic surface: 85.752

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.