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MMsINC code: MMs00395018

Type: Neutral
Formula: C₁₉H₁₉ClFN₃O₂

SMILES:

Clc1ccc(NC(=O)N2CCC(NC(=O)c3cc(F)ccc3)CC2)cc1

InChI:

InChI=1/C19H19ClFN3O2/c20-14-4-6-16(7-5-14)23-19(26)24-10-8-17(9-11-24)22-18(25)13-2-1-3-15(21)12-13/h1-7,12,17H,8-11H2,(H,22,25)(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.746 kcal/mol

Physical Properties
Molecular Weight: 375.831 g/mol	logS: -4.84432	SlogP: 3.9054	Reactive groups: 0

Topological Properties
Globularity: 0.0569682	Sterimol/B1: 3.67727	Sterimol/B2: 4.19517	Sterimol/B3: 4.39233
Sterimol/B4: 4.904	Sterimol/L: 20.6855

Surface and Volume Properties
Accessible surface: 624.624	Positive charged surface: 337.04	Negative charged surface: 287.584	Volume: 336.875
Hydrophobic surface: 556.634	Hydrophilic surface: 67.99

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.