MMsINC Database Search


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MMsINC code: MMs00196765

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1ccccc1CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H23ClN2O/c25-23-9-5-4-8-22(23)18-26-14-16-27(17-15-26)24(28)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13H,14-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.48 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -6.40032	SlogP: 5.2314	Reactive groups: 0

Topological Properties
Globularity: 0.0638475	Sterimol/B1: 3.53555	Sterimol/B2: 3.76007	Sterimol/B3: 3.95065
Sterimol/B4: 7.75167	Sterimol/L: 17.7

Surface and Volume Properties
Accessible surface: 656.455	Positive charged surface: 366.839	Negative charged surface: 277.529	Volume: 383.375
Hydrophobic surface: 617.705	Hydrophilic surface: 38.75

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

MMs00196766
ASINEX-ZINC00860275