MMsINC Database Search


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MMsINC code: MMs01204363

Type: Neutral
Formula: C₁₉H₂₁Cl₂N₃O₃

SMILES:

Clc1cc(ccc1Cl)C1N(CCn2c1ccc2)C(=O)CN(CC)C(OC)=O

InChI:

InChI=1/C19H21Cl2N3O3/c1-3-22(19(26)27-2)12-17(25)24-10-9-23-8-4-5-16(23)18(24)13-6-7-14(20)15(21)11-13/h4-8,11,18H,3,9-10,12H2,1-2H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4951 kcal/mol

Physical Properties
Molecular Weight: 410.301 g/mol	logS: -3.7711	SlogP: 4.1767	Reactive groups: 0

Topological Properties
Globularity: 0.193299	Sterimol/B1: 3.15693	Sterimol/B2: 3.59909	Sterimol/B3: 5.91813
Sterimol/B4: 8.931	Sterimol/L: 15.704

Surface and Volume Properties
Accessible surface: 629.382	Positive charged surface: 378.951	Negative charged surface: 250.43	Volume: 364.75
Hydrophobic surface: 545.36	Hydrophilic surface: 84.022

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.