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MMsINC code: MMs00497790

Type: Neutral
Formula: C₁₇H₂₀ClN₃O₃

SMILES:

Clc1ccc(cc1)CN1C(=O)C(N2CCC(CC2)C(=O)N)CC1=O

InChI:

InChI=1/C17H20ClN3O3/c18-13-3-1-11(2-4-13)10-21-15(22)9-14(17(21)24)20-7-5-12(6-8-20)16(19)23/h1-4,12,14H,5-10H2,(H2,19,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.66 kcal/mol

Physical Properties
Molecular Weight: 349.818 g/mol	logS: -3.06269	SlogP: 1.4312	Reactive groups: 0

Topological Properties
Globularity: 0.175181	Sterimol/B1: 2.38545	Sterimol/B2: 5.05134	Sterimol/B3: 5.62216
Sterimol/B4: 6.50615	Sterimol/L: 12.9415

Surface and Volume Properties
Accessible surface: 548.454	Positive charged surface: 328.161	Negative charged surface: 220.293	Volume: 313.875
Hydrophobic surface: 380.674	Hydrophilic surface: 167.78

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

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

MMs00497791
CHEMBLOCK-ZINC00101140