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MMsINC code: MMs01159935

Type: Neutral
Formula: C₂₃H₂₃ClN₂O

SMILES:

Clc1ccc(cc1)-c1n(c(C)c(c1)C(=O)N1CCCC1)-c1ccc(cc1)C

InChI:

InChI=1/C23H23ClN2O/c1-16-5-11-20(12-6-16)26-17(2)21(23(27)25-13-3-4-14-25)15-22(26)18-7-9-19(24)10-8-18/h5-12,15H,3-4,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.112 kcal/mol

Physical Properties
Molecular Weight: 378.903 g/mol	logS: -6.05527	SlogP: 5.65054	Reactive groups: 0

Topological Properties
Globularity: 0.0641855	Sterimol/B1: 3.08572	Sterimol/B2: 3.32072	Sterimol/B3: 3.88994
Sterimol/B4: 9.67305	Sterimol/L: 16.5935

Surface and Volume Properties
Accessible surface: 641.65	Positive charged surface: 378.369	Negative charged surface: 263.281	Volume: 375.125
Hydrophobic surface: 605.414	Hydrophilic surface: 36.236

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.