MMsINC Database Search


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MMsINC code: MMs01178108

Type: Neutral
Formula: C₁₉H₂₄ClN₃O₃

SMILES:

Clc1cc(N2CN(CC2=O)C(=O)CN(C(=O)CCCC)C2CC2)ccc1

InChI:

InChI=1/C19H24ClN3O3/c1-2-3-7-17(24)22(15-8-9-15)12-18(25)21-11-19(26)23(13-21)16-6-4-5-14(20)10-16/h4-6,10,15H,2-3,7-9,11-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1473 kcal/mol

Physical Properties
Molecular Weight: 377.872 g/mol	logS: -3.99472	SlogP: 2.6539	Reactive groups: 0

Topological Properties
Globularity: 0.0733086	Sterimol/B1: 2.34704	Sterimol/B2: 3.77261	Sterimol/B3: 5.2151
Sterimol/B4: 8.48323	Sterimol/L: 19.4186

Surface and Volume Properties
Accessible surface: 658.919	Positive charged surface: 396.359	Negative charged surface: 262.56	Volume: 357.5
Hydrophobic surface: 502.474	Hydrophilic surface: 156.445

Pharmacophoric Properties
Hydrogen bond donors: 0	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.