MMsINC Database Search


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MMsINC code: MMs01167749

Type: Neutral
Formula: C₁₇H₂₃ClN₄O₄

SMILES:

Clc1ccc(N2CN(CC2=O)C(=O)CN(CCOC)C(=O)N(C)C)cc1

InChI:

InChI=1/C17H23ClN4O4/c1-19(2)17(25)20(8-9-26-3)10-15(23)21-11-16(24)22(12-21)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.579 kcal/mol

Physical Properties
Molecular Weight: 382.848 g/mol	logS: -2.08064	SlogP: 1.1027	Reactive groups: 0

Topological Properties
Globularity: 0.0811999	Sterimol/B1: 2.01369	Sterimol/B2: 2.94244	Sterimol/B3: 4.86913
Sterimol/B4: 8.74137	Sterimol/L: 18.3801

Surface and Volume Properties
Accessible surface: 635.584	Positive charged surface: 436.677	Negative charged surface: 198.907	Volume: 347.625
Hydrophobic surface: 538.763	Hydrophilic surface: 96.821

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.