MMsINC Database Search


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MMsINC code: MMs01207927

Type: Neutral
Formula: C₂₀H₂₀ClN₃O₃

SMILES:

Clc1cc2N(CC(=O)NC(C)C)C(=O)N(C(=O)c2cc1)c1cc(ccc1)C

InChI:

InChI=1/C20H20ClN3O3/c1-12(2)22-18(25)11-23-17-10-14(21)7-8-16(17)19(26)24(20(23)27)15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4586 kcal/mol

Physical Properties
Molecular Weight: 385.851 g/mol	logS: -5.58498	SlogP: 3.75982	Reactive groups: 0

Topological Properties
Globularity: 0.107769	Sterimol/B1: 2.41796	Sterimol/B2: 2.69004	Sterimol/B3: 5.58774
Sterimol/B4: 9.69213	Sterimol/L: 15.1004

Surface and Volume Properties
Accessible surface: 640.051	Positive charged surface: 357.156	Negative charged surface: 282.895	Volume: 355.25
Hydrophobic surface: 510.475	Hydrophilic surface: 129.576

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.