MMsINC Database Search


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MMsINC code: MMs01261511

Type: Neutral
Formula: C₁₉H₂₄ClN₃O₃

SMILES:

Clc1ccccc1CNC(=O)CN1C(=O)C2(NC1=O)CCCCCCC2

InChI:

InChI=1/C19H24ClN3O3/c20-15-9-5-4-8-14(15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-13H2,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.024 kcal/mol

Physical Properties
Molecular Weight: 377.872 g/mol	logS: -5.21083	SlogP: 3.2575	Reactive groups: 0

Topological Properties
Globularity: 0.0612443	Sterimol/B1: 3.62564	Sterimol/B2: 3.92072	Sterimol/B3: 4.19289
Sterimol/B4: 5.33763	Sterimol/L: 18.5239

Surface and Volume Properties
Accessible surface: 616.785	Positive charged surface: 371.059	Negative charged surface: 245.726	Volume: 345.625
Hydrophobic surface: 487.835	Hydrophilic surface: 128.95

Pharmacophoric Properties
Hydrogen bond donors: 2	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.