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MMsINC code: MMs02174399

Type: Neutral
Formula: C₂₄H₂₅ClN₂O₂

SMILES:

Clc1ccc(cc1)-c1oc(C)c(c1)C(=O)NC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C24H25ClN2O2/c1-17-22(15-23(29-17)19-7-9-20(25)10-8-19)24(28)26-21-11-13-27(14-12-21)16-18-5-3-2-4-6-18/h2-10,15,21H,11-14,16H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.743 kcal/mol

Physical Properties
Molecular Weight: 408.929 g/mol	logS: -6.79069	SlogP: 5.56922	Reactive groups: 0

Topological Properties
Globularity: 0.0706712	Sterimol/B1: 2.06891	Sterimol/B2: 4.12923	Sterimol/B3: 5.08806
Sterimol/B4: 9.32767	Sterimol/L: 20.5001

Surface and Volume Properties
Accessible surface: 720.246	Positive charged surface: 415.423	Negative charged surface: 304.823	Volume: 397.625
Hydrophobic surface: 677.076	Hydrophilic surface: 43.17

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02174400
MAYBRIDGE-ZINC04390801