MMsINC Database Search


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MMsINC code: MMs01255869

Type: Neutral
Formula: C₁₉H₂₄ClN₃O₃

SMILES:

Clc1ccc(cc1)CNC(=O)CN1C(=O)C2(NC1=O)CCCCCCC2

InChI:

InChI=1/C19H24ClN3O3/c20-15-8-6-14(7-9-15)12-21-16(24)13-23-17(25)19(22-18(23)26)10-4-2-1-3-5-11-19/h6-9H,1-5,10-13H2,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5598 kcal/mol

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

Topological Properties
Globularity: 0.0604835	Sterimol/B1: 2.8446	Sterimol/B2: 3.31051	Sterimol/B3: 4.36193
Sterimol/B4: 6.39091	Sterimol/L: 19.7017

Surface and Volume Properties
Accessible surface: 627.348	Positive charged surface: 374.622	Negative charged surface: 252.726	Volume: 346.375
Hydrophobic surface: 494.322	Hydrophilic surface: 133.026

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.