MMsINC Database Search


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MMsINC code: MMs01142683

Type: Neutral
Formula: C₂₄H₂₇ClN₂O₃

SMILES:

Clc1ccccc1Cn1cccc1CN(C(=O)c1ccccc1OC)CCCOC

InChI:

InChI=1/C24H27ClN2O3/c1-29-16-8-15-27(24(28)21-11-4-6-13-23(21)30-2)18-20-10-7-14-26(20)17-19-9-3-5-12-22(19)25/h3-7,9-14H,8,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=281.453 kcal/mol

Physical Properties
Molecular Weight: 426.944 g/mol	logS: -4.58005	SlogP: 5.4101	Reactive groups: 0

Topological Properties
Globularity: 0.0866988	Sterimol/B1: 2.26546	Sterimol/B2: 3.68401	Sterimol/B3: 3.81675
Sterimol/B4: 12.1848	Sterimol/L: 16.304

Surface and Volume Properties
Accessible surface: 687.648	Positive charged surface: 450.547	Negative charged surface: 237.101	Volume: 411.75
Hydrophobic surface: 627.425	Hydrophilic surface: 60.223

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: 1

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Ions/Tautomers related molecules: no related molecules available.