MMsINC Database Search


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MMsINC code: MMs02156501

Type: Neutral
Formula: C₂₂H₂₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1c(cc(cc1C)C)C

InChI:

InChI=1/C22H24ClNO2/c1-14-12-15(2)20(16(3)13-14)21(25)17-8-10-24(11-9-17)22(26)18-4-6-19(23)7-5-18/h4-7,12-13,17H,8-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.89 kcal/mol

Physical Properties
Molecular Weight: 369.892 g/mol	logS: -5.98918	SlogP: 5.00036	Reactive groups: 0

Topological Properties
Globularity: 0.0529504	Sterimol/B1: 3.29454	Sterimol/B2: 4.50441	Sterimol/B3: 4.69831
Sterimol/B4: 4.69938	Sterimol/L: 19.196

Surface and Volume Properties
Accessible surface: 620.87	Positive charged surface: 340.728	Negative charged surface: 280.142	Volume: 362.375
Hydrophobic surface: 563.947	Hydrophilic surface: 56.923

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.