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MMsINC code: MMs00561630

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)C1C(N(CCCN)C(=O)C1=O)c1ccccc1

InChI:

InChI=1/C20H19ClN2O3/c21-15-9-7-14(8-10-15)18(24)16-17(13-5-2-1-3-6-13)23(12-4-11-22)20(26)19(16)25/h1-3,5-10,16-17H,4,11-12,22H2/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6314 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -4.38836	SlogP: 2.7358	Reactive groups: 0

Topological Properties
Globularity: 0.135548	Sterimol/B1: 2.54833	Sterimol/B2: 3.53653	Sterimol/B3: 5.15187
Sterimol/B4: 9.22276	Sterimol/L: 17.3513

Surface and Volume Properties
Accessible surface: 621.039	Positive charged surface: 320.995	Negative charged surface: 300.044	Volume: 342.25
Hydrophobic surface: 460.659	Hydrophilic surface: 160.38

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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