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MMsINC code: MMs01141105

Type: Neutral
Formula: C₂₄H₂₇ClN₂O₃

SMILES:

Clc1cc(ccc1)Cn1cccc1CN(C(=O)COCc1ccccc1)CCOC

InChI:

InChI=1/C24H27ClN2O3/c1-29-14-13-27(24(28)19-30-18-20-7-3-2-4-8-20)17-23-11-6-12-26(23)16-21-9-5-10-22(25)15-21/h2-12,15H,13-14,16-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9465 kcal/mol

Physical Properties
Molecular Weight: 426.944 g/mol	logS: -4.47054	SlogP: 5.1808	Reactive groups: 0

Topological Properties
Globularity: 0.0924776	Sterimol/B1: 2.28379	Sterimol/B2: 3.88377	Sterimol/B3: 5.17887
Sterimol/B4: 9.83501	Sterimol/L: 19.2761

Surface and Volume Properties
Accessible surface: 745.802	Positive charged surface: 451.905	Negative charged surface: 293.897	Volume: 422.25
Hydrophobic surface: 679.146	Hydrophilic surface: 66.656

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

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Ions/Tautomers related molecules: no related molecules available.