MMsINC Database Search


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MMsINC code: MMs01372937

Type: Neutral
Formula: C₂₁H₁₈ClFN₂O

SMILES:

Clc1cc(F)ccc1NC(=O)CNC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H18ClFN2O/c22-18-13-17(23)11-12-19(18)25-20(26)14-24-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,24H,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.781 kcal/mol

Physical Properties
Molecular Weight: 368.839 g/mol	logS: -5.91898	SlogP: 4.8923	Reactive groups: 0

Topological Properties
Globularity: 0.12476	Sterimol/B1: 2.28501	Sterimol/B2: 3.89676	Sterimol/B3: 5.28947
Sterimol/B4: 9.25827	Sterimol/L: 16.2305

Surface and Volume Properties
Accessible surface: 630.603	Positive charged surface: 314.663	Negative charged surface: 315.939	Volume: 344.75
Hydrophobic surface: 586.724	Hydrophilic surface: 43.879

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.