MMsINC Database Search


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MMsINC code: MMs01609952

Type: Neutral
Formula: C₂₄H₂₄ClN₃O₂

SMILES:

Clc1ccccc1N1CCN(CC1)C(=O)CNC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C24H24ClN3O2/c25-21-10-3-4-11-22(21)27-12-14-28(15-13-27)24(30)17-26-23(29)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.708 kcal/mol

Physical Properties
Molecular Weight: 421.928 g/mol	logS: -6.14182	SlogP: 3.50067	Reactive groups: 0

Topological Properties
Globularity: 0.0477628	Sterimol/B1: 2.52542	Sterimol/B2: 3.36187	Sterimol/B3: 4.21266
Sterimol/B4: 7.62211	Sterimol/L: 19.9665

Surface and Volume Properties
Accessible surface: 710.309	Positive charged surface: 417.223	Negative charged surface: 284.244	Volume: 403.25
Hydrophobic surface: 626.459	Hydrophilic surface: 83.85

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

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Ions/Tautomers related molecules: no related molecules available.