MMsINC Database Search


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MMsINC code: MMs00623336

Type: Neutral
Formula: C₁₇H₂₄ClNO₂

SMILES:

Clc1ccc(OC(C(=O)NC2CCCCCC2)(C)C)cc1

InChI:

InChI=1/C17H24ClNO2/c1-17(2,21-15-11-9-13(18)10-12-15)16(20)19-14-7-5-3-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.587 kcal/mol

Physical Properties
Molecular Weight: 309.837 g/mol	logS: -4.9829	SlogP: 4.3364	Reactive groups: 0

Topological Properties
Globularity: 0.0871765	Sterimol/B1: 1.98036	Sterimol/B2: 3.68913	Sterimol/B3: 4.63679
Sterimol/B4: 7.9569	Sterimol/L: 14.5505

Surface and Volume Properties
Accessible surface: 546.522	Positive charged surface: 326.361	Negative charged surface: 220.161	Volume: 303.625
Hydrophobic surface: 486.645	Hydrophilic surface: 59.877

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.