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MMsINC code: MMs03408582

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1ccc(NC(=O)c2ccccc2N)cc1C(OC(CC)CC)=O

InChI:

InChI=1/C19H21ClN2O3/c1-3-13(4-2)25-19(24)15-11-12(9-10-16(15)20)22-18(23)14-7-5-6-8-17(14)21/h5-11,13H,3-4,21H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.263 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -5.24973	SlogP: 4.5199	Reactive groups: 0

Topological Properties
Globularity: 0.120226	Sterimol/B1: 2.50584	Sterimol/B2: 4.30184	Sterimol/B3: 6.53753
Sterimol/B4: 6.82887	Sterimol/L: 15.4874

Surface and Volume Properties
Accessible surface: 623.703	Positive charged surface: 371.53	Negative charged surface: 252.173	Volume: 337.875
Hydrophobic surface: 492.759	Hydrophilic surface: 130.944

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.