MMsINC Database Search


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MMsINC code: MMs02157735

Type: Neutral
Formula: C₁₆H₁₉Cl₂N₃O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1NC(=O)NC(C(OC)OC)C

InChI:

InChI=1/C16H19Cl2N3O4/c1-8(15(23-3)24-4)19-16(22)20-13-9(2)25-21-14(13)12-10(17)6-5-7-11(12)18/h5-8,15H,1-4H3,(H2,19,20,22)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.059 kcal/mol

Physical Properties
Molecular Weight: 388.251 g/mol	logS: -4.74491	SlogP: 4.08572	Reactive groups: 0

Topological Properties
Globularity: 0.154299	Sterimol/B1: 1.969	Sterimol/B2: 4.41824	Sterimol/B3: 4.45615
Sterimol/B4: 9.6895	Sterimol/L: 14.3177

Surface and Volume Properties
Accessible surface: 595.583	Positive charged surface: 359.448	Negative charged surface: 236.136	Volume: 334.5
Hydrophobic surface: 515.92	Hydrophilic surface: 79.663

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.