MMsINC Database Search


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MMsINC code: MMs00986566

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₃

SMILES:

Clc1cc(F)ccc1CNC(=O)COC1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C20H18ClFN2O3/c1-2-24-17-6-4-3-5-15(17)18(10-20(24)26)27-12-19(25)23-11-13-7-8-14(22)9-16(13)21/h3-10H,2,11-12H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9386 kcal/mol

Physical Properties
Molecular Weight: 388.826 g/mol	logS: -5.49256	SlogP: 3.7859	Reactive groups: 0

Topological Properties
Globularity: 0.0345389	Sterimol/B1: 2.53873	Sterimol/B2: 2.68805	Sterimol/B3: 5.59242
Sterimol/B4: 7.80578	Sterimol/L: 18.7586

Surface and Volume Properties
Accessible surface: 638.295	Positive charged surface: 343.867	Negative charged surface: 294.428	Volume: 345.625
Hydrophobic surface: 526.719	Hydrophilic surface: 111.576

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.