MMsINC Database Search


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MMsINC code: MMs01323504

Type: Neutral
Formula: C₂₁H₂₁ClFNO₃

SMILES:

Clc1ccccc1CNC(=O)COC(=O)C1(CCCC1)c1ccccc1F

InChI:

InChI=1/C21H21ClFNO3/c22-17-9-3-1-7-15(17)13-24-19(25)14-27-20(26)21(11-5-6-12-21)16-8-2-4-10-18(16)23/h1-4,7-10H,5-6,11-14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9485 kcal/mol

Physical Properties
Molecular Weight: 389.854 g/mol	logS: -6.12976	SlogP: 4.4169	Reactive groups: 0

Topological Properties
Globularity: 0.0441662	Sterimol/B1: 2.87863	Sterimol/B2: 4.22924	Sterimol/B3: 5.17503
Sterimol/B4: 5.81456	Sterimol/L: 17.7119

Surface and Volume Properties
Accessible surface: 646.019	Positive charged surface: 354.759	Negative charged surface: 291.26	Volume: 357.5
Hydrophobic surface: 574.723	Hydrophilic surface: 71.296

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.