MMsINC Database Search


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MMsINC code: MMs00639213

Type: Neutral
Formula: C₂₁H₂₄ClNO₂

SMILES:

Clc1ccccc1OCc1cc(ccc1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C21H24ClNO2/c22-19-12-5-6-13-20(19)25-15-16-8-7-9-17(14-16)21(24)23-18-10-3-1-2-4-11-18/h5-9,12-14,18H,1-4,10-11,15H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4755 kcal/mol

Physical Properties
Molecular Weight: 357.881 g/mol	logS: -6.06994	SlogP: 5.638	Reactive groups: 0

Topological Properties
Globularity: 0.0443906	Sterimol/B1: 2.4338	Sterimol/B2: 3.44832	Sterimol/B3: 6.01361
Sterimol/B4: 6.49212	Sterimol/L: 19.4583

Surface and Volume Properties
Accessible surface: 643.947	Positive charged surface: 376.77	Negative charged surface: 267.177	Volume: 352.25
Hydrophobic surface: 605.783	Hydrophilic surface: 38.164

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: no related molecules available.