MMsINC Database Search


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MMsINC code: MMs00906771

Type: Neutral
Formula: C₂₄H₃₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C1N(C2CCCCCCC2)C(=O)CN(C1=O)C1CCCCC1

InChI:

InChI=1/C24H33ClN2O2/c25-19-15-13-18(14-16-19)23-24(29)26(20-9-7-4-8-10-20)17-22(28)27(23)21-11-5-2-1-3-6-12-21/h13-16,20-21,23H,1-12,17H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.759 kcal/mol

Physical Properties
Molecular Weight: 416.993 g/mol	logS: -6.34745	SlogP: 5.593	Reactive groups: 0

Topological Properties
Globularity: 0.12824	Sterimol/B1: 2.48061	Sterimol/B2: 5.55626	Sterimol/B3: 5.61103
Sterimol/B4: 7.60049	Sterimol/L: 16.0825

Surface and Volume Properties
Accessible surface: 653.165	Positive charged surface: 433.351	Negative charged surface: 219.814	Volume: 404.75
Hydrophobic surface: 614.249	Hydrophilic surface: 38.916

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.